Pyrimidines and pyrimidine derivatives

Thiamine hydrochloride, 98.5-101.5%, Acros Organics

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride, vitamin b1 hydrochloride, thiamine hcl, aneurine hydrochloride, berin, thiamine chloride hydrochloride, trophite, thiamin chloride, thiamine dichloride, thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

8-Azaguanine 98%, ACROS Organics™

CAS: 134-58-7 Molecular Formula: C4H4N6O Molecular Weight (g/mol): 152.117 InChI Key: LPXQRXLUHJKZIE-UHFFFAOYSA-N Synonym: 8-azaguanine, guanazolo, azaguanine-8, azaguanine, guanazol, pathocidin, pathocidine, triazologuanine, azan, 8 ag PubChem CID: 8646 ChEBI: CHEBI:63486 IUPAC Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one SMILES: C12=NNNC1=NC(=NC2=O)N

Uracil, 99+%, Acros Organics

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil, 2,4-dihydroxypyrimidine, 2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 2,4-dioxopyrimidine, pyrimidine-2,4 1h,3h-dione, pirod, 2,4-pyrimidinedione, pyrod, hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

Alfa Aesar™ 4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.148 MDL Number: MFCD00006674 InChI Key: RVBUGGBMJDPOST-UHFFFAOYSA-N Synonym: 2-thiobarbituric acid, thiobarbituric acid, bathyran, austranal, 4,6-dihydroxy-2-thiopyrimidine, 2-thioxodihydropyrimidine-4,6 1h,5h-dione, 2-thio-4,6-dioxypyrimidine, usaf ek-660, 4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo, 2-mercaptobarbituric acid PubChem CID: 2723628 ChEBI: CHEBI:33202 IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: C1C(=O)NC(=S)NC1=O

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water, Alfa Aesar™

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride, vitamin b1 hydrochloride, thiamine hcl, aneurine hydrochloride, berin, thiamine chloride hydrochloride, trophite, thiamin chloride, thiamine dichloride, thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Thymine, 97%, Alfa Aesar™

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine, 5-methyluracil, thymin, 2,4-dihydroxy-5-methylpyrimidine, thymine anhydrate, 2,4 1h,3h-pyrimidinedione, 5-methyl, 5-methylpyrimidine-2,4 1h,3h-dione, 5-methyl-2,4 1h,3h-pyrimidinedione, thymin purine base, 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

5-Fluorouracil, 99%, ACROS Organics™

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil, fluorouracil, 5-fu, fluoroplex, adrucil, efudex, carac, fluracil, fluoroblastin, kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)F

Thymine, 99%, Acros Organics™

CAS: 65-71-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Synonym: thymine, 5-methyluracil, thymin, 2,4-dihydroxy-5-methylpyrimidine, thymine anhydrate, 2,4 1h,3h-pyrimidinedione, 5-methyl, 5-methylpyrimidine-2,4 1h,3h-dione, 5-methyl-2,4 1h,3h-pyrimidinedione, thymin purine base, 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

Guanosine, 99%, ACROS Organics™

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.23 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine, guanine riboside, vernine, guanozin, guanosin, inosine, 2-amino, usaf cb-11, vernine van, l-guanosine, 9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 IUPAC Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Alfa Aesar™ Murexide

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 MDL Number: MFCD00012777 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L Synonym: murexide, ammonium purpurate acid, 6-oxo-5-2,4,6-trioxo-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate, 5-hexahydro-2,4,6-trioxo-5-pyrimidinyl imino-2,4,6 1h,3h,5h-pyrimidinetrione ammonium salt, 6-oxidanylidene-5-2,4,6-tris oxidanylidene-1,3-diazinan-5-ylidene amino-1h-pyrimidine-2,4-diolate PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

Alfa Aesar™ 2-Amino-6-bromopurine, 98%

CAS: 82499-03-4 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.026 MDL Number: MFCD01321309 InChI Key: HPGBGNVPUMCKPM-UHFFFAOYSA-N Synonym: 2-amino-6-bromopurine, 6-bromo-9h-purin-2-amine, 1h-purin-2-amine, 6-bromo, 6-bromoguanine, d2-amino-6-bromopurine, 6-bromopurine-2-ylamine, purine, 2-amino-6-bromo, 6-bromo-9h-purin-2-ylamine, 9h-purin-2-amine,6-bromo PubChem CID: 6101139 IUPAC Name: 6-bromo-7H-purin-2-amine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)Br

Uracil, 99+%, Alfa Aesar™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil, 2,4-dihydroxypyrimidine, 2,4 1h,3h-pyrimidinedione, 2,4-pyrimidinediol, 2,4-dioxopyrimidine, pyrimidine-2,4 1h,3h-dione, pirod, 2,4-pyrimidinedione, pyrod, hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: C1=CNC(=O)NC1=O

Cytosine, 99+%, Acros Organics

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.1 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine, 4-amino-2-hydroxypyrimidine, cytosinimine, 2 1h-pyrimidinone, 4-amino, 4-amino-2 1h-pyrimidinone, 4-aminopyrimidin-2 1h-one, 6-aminopyrimidin-2 1h-one, 2 1h-pyrimidinone, 6-amino, cyt, 4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 IUPAC Name: 6-amino-1H-pyrimidin-2-one SMILES: C1=C(NC(=O)N=C1)N

Alfa Aesar™ Thiamine nitrate

CAS: 532-43-4 Molecular Formula: C12H17N5O4S Molecular Weight (g/mol): 327.359 MDL Number: MFCD00036330 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: thiamine nitrate, thiamine mononitrate, vitamin b1 nitrate, vitamin b1 mononitrate, aneurine mononitrate, aneurine nitrate, betabion mononitrate, thiamine nitrate salt, vitamin b sub 1 nitrate, thiamine mononitrate usp PubChem CID: 10762 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;nitrate SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[N+](=O)([O-])[O-]

Honeywell Fluka™ Murexide, For Complexometry, Honeywell™ Fluka™

CAS: 3051-09-0 Molecular Formula: C8H3N5O6-2 Molecular Weight (g/mol): 265.141 MDL Number: MFCD00012777 InChI Key: MUMMBXDKKJEASE-UHFFFAOYSA-L PubChem CID: 51381221 IUPAC Name: 6-oxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidine-2,4-diolate SMILES: C1(=C(N=C(NC1=O)[O-])[O-])N=C2C(=O)NC(=O)NC2=O

CHIR 99021, Tocris Bioscience™

CAS: 252917-06-9 Molecular Formula: C22H18Cl2N8 Molecular Weight (g/mol): 465.342 InChI Key: AQGNHMOJWBZFQQ-UHFFFAOYSA-N Synonym: gsk-3 inhibitor xvi, unii-234cmt4gk4, chir-911, 6-2-4-2,4-dichlorophenyl-5-4-methyl-1h-imidazol-2-yl pyrimidin-2-ylamino ethylamino pyridine-3-carbonitrile, 6-2-4-2,4-dichlorophenyl-5-4-methyl-1h-imidazol-2-yl pyrimidin-2-yl amino ethyl amino nicotinonitrile, 6-2-4-2,4-dichlorophenyl-5-4-methyl-1h-imidazol-2-yl pyrimidin-2-yl amino ethyl amino pyridine-3-carbonitrile, 6-2-4-2,4-dichlorophenyl-5-5-methyl-1h-imidazol-2-yl-2-pyrimidinyl amino ethyl amino-3-pyridinecarbonitrile, 3-pyridinecarbonitrile, 6-2-4-2,4-dichlorophenyl-5-5-methyl-1h-imidazol-2-yl-2-pyrimidinyl amino ethyl amino, 6-2-4-2,4-dichlorophenyl-5-5-methyl-1h-imidazol-2-yl pyrimidin-2-yl amino ethyl amino nicotinonitrile PubChem CID: 9956119 IUPAC Name: 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile SMILES: CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N

Alfa Aesar™ 4-Amino-6-chloropyrimidine-5-carboxaldehyde, 97%

CAS: 14160-93-1 Molecular Formula: C5H4ClN3O Molecular Weight (g/mol): 157.557 MDL Number: MFCD03789626 InChI Key: GOJNFUXEBVBARW-UHFFFAOYSA-N Synonym: 4-amino-6-chloropyrimidine-5-carboxaldehyde, 5-pyrimidinecarboxaldehyde, 4-amino-6-chloro, 4-amino-6-chloro-5-pyrimidinecarbaldehyde, 4-amino-6-chloro-pyrimidine-5-carbaldehyde, 4-amino-6-chloro-5-pyrimidinecarboxaldehyde, 4-amino-6-chloro-5-formylpyrimidine, 4-amino-6-chloro-5-formyl-1,3-diazine, pubchem22541, 6-amino-4-chloropyrimidine-5-carbaldehyde, 4-amino-6-chloro-pyrimidine-5-carboxaldehyde PubChem CID: 84230 IUPAC Name: 4-amino-6-chloropyrimidine-5-carbaldehyde SMILES: C1=NC(=C(C(=N1)Cl)C=O)N

N4-Acetylcytosine, 98%, Acros Organics™

CAS: 14631-20-0 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 InChI Key: IJCKBIINTQEGLY-UHFFFAOYSA-N Synonym: n4-acetylcytosine, n-acetylcytosine, n-2-oxo-1,2-dihydropyrimidin-4-yl acetamide, acetamide, n-1,2-dihydro-2-oxo-4-pyrimidinyl, n 4-acetylcytosine, n-2-oxo-1h-pyrimidin-6-yl acetamide, n-2-hydroxypyrimidin-4-yl acetamide, n-2-oxo-3h-pyrimidin-4-yl acetamide, 4-acetylamino-1,2-dihydro-2-pyrimidone PubChem CID: 99309 IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)acetamide SMILES: CC(=O)NC1=CC=NC(=O)N1

4-Chloro-6,7,8,9-tetrahydro-5H-cyclohepta-4,5-thieno[2,3-d]pyrimidine, 96%, Alfa Aesar™

CAS: 40106-58-9 Molecular Formula: C11H11ClN2S Molecular Weight (g/mol): 238.733 MDL Number: MFCD05865130 InChI Key: AUYMUMFPLSANID-UHFFFAOYSA-N Synonym: 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4,5 thieno 2,3-d pyrimidine, 5h-cyclohepta 4,5 thieno 2,3-d pyrimidine,4-chloro-6,7,8,9-tetrahydro, 3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2,7 tetradeca-1 9 ,2 7 ,3,5-tetraene, 4-chloro-5,6,7,8,9-pentahydrocyclohepta 1,2-d pyrimidino 4,5-b thiophene, 3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0 2 ,? tetradeca-1 9 ,2,4,6-tetraene, 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5 thieno 2,3-d pyrimidine, 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta-4,5-thieno 2,3-d pyrimidine, 4-chloro-6,7,8,9-tetrahydro-5h-cyclohepta 4.5 thieno 2.3-d pyrimidine, 3-chloro-8-thia-4,6-diazatricyclo 7.5.0.0?,? tetradeca-1 9 ,2,4,6-tetraene PubChem CID: 2794752 IUPAC Name: 4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidine SMILES: C1CCC2=C(CC1)SC3=C2C(=NC=N3)Cl

Imatinib mesylate, 98%, Acros Organics™

CAS: 220127-57-1 Molecular Formula: C29H31N7O·CH4O3S Molecular Weight (g/mol): 589.71 InChI Key: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate, gleevec, glivec, imatinib mesilate, imatinib methanesulfonate, imatinib mesylate sti571, imatinib monomesylate, unii-8a1o1m485b, imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O

4,6-Dichloropyrimidine, 97%, ACROS Organics™

CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.98 MDL Number: MFCD00006109 InChI Key: XJPZKYIHCLDXST-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro, 4,6-dichloro-pyrimidine, 4,6-dichloro pyrimidine, 4,6-dichloro-1,3-diazine, 4,6-dichlorpyrimidin, dichloropyrmidine, dichloropyrimidine, zlchem 225, pubchem6913, 4,6-dichloropyrimdine PubChem CID: 70943 IUPAC Name: 4,6-dichloropyrimidine SMILES: C1=C(N=CN=C1Cl)Cl

Alfa Aesar™ 9-Benzyl-6-chloro-7-iodo-7-deazapurine, 95%

CAS: 1244855-59-1 Molecular Formula: C13H9ClIN3 Molecular Weight (g/mol): 369.59 MDL Number: MFCD16660858 InChI Key: NWGKGMFQFVMROS-UHFFFAOYSA-N Synonym: 7-benzyl-4-chloro-5-iodo-7h-pyrrolo 2,3-d pyrimidine, 9-benzyl-6-chloro-7-iodo-7-deazapurine, 7-benzyl-4-chloro-5-iodopyrrolo 2,3-d pyrimidine, amth010 PubChem CID: 57416867 IUPAC Name: 7-benzyl-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine SMILES: C1=CC=C(C=C1)CN2C=C(C3=C2N=CN=C3Cl)I

Alfa Aesar™ Ethyl 2,4-dichloropyrimidine-5-carboxylate, 98%

CAS: 51940-64-8 Molecular Formula: C7H6Cl2N2O2 Molecular Weight (g/mol): 221.037 MDL Number: MFCD09910281 InChI Key: SRJBDGLSCPDXBL-UHFFFAOYSA-N Synonym: ethyl 2,4-dichloro-5-pyrimidinecarboxylate, 5-pyrimidinecarboxylic acid, 2,4-dichloro-, ethyl ester, ethyl 2,4-dichloro-pyrimidine-5-carboxylate, 2,4-dichloro-pyrimidine-5-carboxylic acid ethyl ester, 2,4-dichloro-5-ethoxycarbonylpyrimidine, 2,4,-dichloro-5-pyrimidinecarboxylic acid ethyl ester, 2,4-dichloro-5-pyrimidinecarboxylic acid ethyl ester, 2,4-dichloropyrimidine-5-carboxylic acid ethyl ester, pubchem24010, ethyl2,4-dichloro-5-pyrimidinecarboxylate PubChem CID: 104020 IUPAC Name: ethyl 2,4-dichloropyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1Cl)Cl

Alfa Aesar™ 4-Chloro-2-methylthio-6-(trifluoromethyl)pyrimidine, 97%

CAS: 16097-63-5 Molecular Formula: C6H4ClF3N2S Molecular Weight (g/mol): 228.617 MDL Number: MFCD00269080 InChI Key: GOORQLLDZBAQIW-UHFFFAOYSA-N Synonym: 4-chloro-2-methylsulfanyl-6-trifluoromethyl pyrimidine, 4-chloro-2-methylthio-6-trifluoromethyl pyrimidine, chloromethylsulfanyltrifluoromethylpyrimidine, pyrimidine, 4-chloro-2-methylthio-6-trifluoromethyl, pubchem16997, ksc530m7l, 6-chloro-2-methylthio-4-trifluoromethyl pyrimidine, 2-methylthio-4-trifluoromethyl-6-chloropyrimidine PubChem CID: 248063 IUPAC Name: 4-chloro-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine SMILES: CSC1=NC(=CC(=N1)Cl)C(F)(F)F

4-Chloro-6-methylpyrimidine, 95%, Acros Organics

CAS: 3435-25-4 Molecular Formula: C5H5ClN2 Molecular Weight (g/mol): 128.56 InChI Key: MVAXKFAQKTWRAH-UHFFFAOYSA-N Synonym: 4-methyl-6-chloro pyrimidine, 4-methyl-6-chloropyrimidine, pyrimidine, 4-chloro-6-methyl, 4-chloro-6-methyl-pyrimidine, 6-chloro-4-methylpyrimidine, 4-chloro-6-methyl-1,3-diazine, pubchem13240, 6-methyl-4-chloropyrimidin, ksc269g3h, pyrimidine, 4-chloro-6-methyl-6ci,7ci,8ci,9ci PubChem CID: 581796 IUPAC Name: 4-chloro-6-methylpyrimidine SMILES: CC1=CC(=NC=N1)Cl

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