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

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-]

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

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, 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

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

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

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

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

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-]

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

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

5-Aminouracil, 98%, ACROS Organics™

CAS: 932-52-5 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.1 MDL Number: MFCD00006025 InChI Key: BISHACNKZIBDFM-UHFFFAOYSA-N Synonym: 5-aminouracil, 5-amino-2,4-dihydroxypyrimidine, uracil, 5-amino, 2,4 1h,3h-pyrimidinedione, 5-amino, 2,4-dihydroxy-5-aminopyrimidine, unii-r2o7eky9g9, r2o7eky9g9, 5-aminopyrimidine-2,4-diol, 5-amino-1,3-dihydropyrimidine-2,4-dione, wbu PubChem CID: 13611 ChEBI: CHEBI:46348 IUPAC Name: 5-amino-1H-pyrimidine-2,4-dione SMILES: C1=C(C(=O)NC(=O)N1)N

Ethyl 2-chloropyrimidine-5-carboxylate, 95%, Acros Organics

CAS: 89793-12-4 Molecular Formula: C7H7ClN2O2 Molecular Weight (g/mol): 186.6 InChI Key: IEMKQRSOAOPKRJ-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid ethyl ester, 2-chloro-5-ethoxycarbonyl pyrimidine, ethyl-2-chloropyrimidine-5-carboxylate, ethyl 2-chloro-pyrimidine-5-carboxylate, 5-pyrimidinecarboxylic acid, 2-chloro-, ethyl ester, ethyl2-chloropyrimidine-5-carboxylate, acmc-209r2w, ksc663i8r, ethyl 2-chloranylpyrimidine-5-carboxylate, 2-chloro-5-pyrimidinecarboxylic acid ethyl ester PubChem CID: 10487815 IUPAC Name: ethyl 2-chloropyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1)Cl

Alfa Aesar™ 2-Mercapto-4-(trifluoromethyl)pyrimidine, 96%

CAS: 136547-17-6 Molecular Formula: C5H3F3N2S Molecular Weight (g/mol): 180.148 MDL Number: MFCD00115113 InChI Key: HDGJASCXBNRLGA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl pyrimidine-2-thiol, 4-trifluoromethyl-2-pyrimidinethiol, 2-mercapto-4-trifluoromethylpyrimidine, 2-mercapto-4-trifluoromethyl pyrimidine, 6-trifluoromethyl-1h-pyrimidine-2-thione, 2 1h-pyrimidinethione, 4-trifluoromethyl, 4-trifluoromethyl-3-hydropyrimidine-2-thione, 4-trifluoromethyl-3h-pyrimidine-2-thione, zlchem 646, pubchem17679 PubChem CID: 1240105 IUPAC Name: 6-(trifluoromethyl)-1H-pyrimidine-2-thione SMILES: C1=C(NC(=S)N=C1)C(F)(F)F

5-Fluorouracil, 99%, Alfa Aesar™

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.078 MDL Number: MFCD00006018 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

Alfa Aesar™ 2-Amino-4,6-dihydroxypyrimidine, 98%

CAS: 56-09-7 Molecular Formula: C4H5N3O2 Molecular Weight (g/mol): 127.103 MDL Number: MFCD00006094 InChI Key: AUFJTVGCSJNQIF-UHFFFAOYSA-N Synonym: 2-amino-4,6-dihydroxypyrimidine, 2-aminopyrimidine-4,6-diol, 4 1h-pyrimidinone, 2-amino-6-hydroxy, 2-amino-6-hydroxypyrimidin-4 3h-one, 2-amino-4,6-dioxypyrimidine, 2-amino-4,6-pyrimidinedione, 4,6-dihydroxy-2-aminopyrimidine, 2-amino-4,6-pyrimidinediol, 2-amino-6-hydroxy-1h-pyrimidin-4-one, 2-amino-6-hydroxy-4 1h-pyrimidinone PubChem CID: 66131 IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one SMILES: C1=C(N=C(NC1=O)N)O

N-[4-(4-Fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-N-methylmethanesulfonamide, 99%, Alfa Aesar™

CAS: 147118-37-4 Molecular Formula: C16H18FN3O3S Molecular Weight (g/mol): 351.396 MDL Number: MFCD08458342 InChI Key: WOCOTUDOVSLFOB-UHFFFAOYSA-N Synonym: n-4-4-fluorophenyl-5-formyl-6-isopropylpyrimidin-2-yl-n-methylmethanesulfonamide, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-methylsulfonyl amino pyrimidinyl-5-yl-formyl, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-methanesulfonylamino-5-pyrimidinecarboxaldehyde, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-methylsulfonylamino pyrimidine-5-carboxaldehyde, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-methanesulfonylamino pyrimidin-5-carboxaldehyde, n-4-4-fluorophenyl-5-formyl-6-isopropyl-pyrimidin-2-yl-n-methyl-methanesulfonamide, n-4-4-fluorophenyl-5-formyl-6-1-methylethyl-2-pyrimidinyl-n-methyl-methanesulfonamide, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-met, 4-4-fluorophenyl-6-isopropyl-2-n-methyl-n-methylsulfonylamino pyrimidine-5-carbaldehyde PubChem CID: 10473133 IUPAC Name: N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide SMILES: CC(C)C1=NC(=NC(=C1C=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

4,6-Dihydroxypyrimidine, 98%, ACROS Organics™

CAS: 1193-24-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00016733 InChI Key: DUFGYCAXVIUXIP-UHFFFAOYSA-N Synonym: 4,6-dihydroxypyrimidine, pyrimidine-4,6-diol, 4,6-pyrimidinediol, 6-hydroxy-4 1h-pyrimidinone, 4 1h-pyrimidinone, 6-hydroxy, 4 3h-pyrimidinone, 6-hydroxy, 6-hydroxypyrimidin-4 3h-one, 6-hydroxy-1h-pyrimidin-4-one, 4,6-dihydroxypyrimidin, 6-hydroxy-4-pyrimidinone PubChem CID: 14512 IUPAC Name: 4-hydroxy-1H-pyrimidin-6-one SMILES: C1=C(N=CNC1=O)O

Alfa Aesar™ 5-Ethyluracil, 98+%

CAS: 4212-49-1 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00079187 InChI Key: RHIULBJJKFDJPR-UHFFFAOYSA-N Synonym: 5-ethyluracil, 5-ethyl uracil, 2,4-dihydroxy-5-ethylpyrimidine, 5-ethylpyrimidine-2,4-diol, 2,4 1h,3h-pyrimidinedione, 5-ethyl, 5-ethyl-1,3-dihydropyrimidine-2,4-dione, 5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, uracil, 5-ethyl, zlchem 329, acmc-209jno PubChem CID: 73267 IUPAC Name: 5-ethyl-1H-pyrimidine-2,4-dione SMILES: CCC1=CNC(=O)NC1=O

Alfa Aesar™ 2-Mercaptopyrimidine, 98%

CAS: 1450-85-7 Molecular Formula: C4H4N2S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine, pyrimidine-2-thiol, 2-pyrimidinethiol, 2-thiopyrimidine, pyrimidine-2 1h-thione, 2 1h-pyrimidinethione, pyrimidinethione, 2-pyrimidinethione, 2-pyrimidinethiol 9ci, 2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1

4-Amino-6-hydroxypyrimidine, 98%, Acros Organics™

CAS: 1193-22-2 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.1 InChI Key: HFMLLTVIMFEQRE-UHFFFAOYSA-N Synonym: 4-amino-6-hydroxypyrimidine, 6-aminopyrimidin-4-ol, 4-hydroxy-6-aminopyrimidine, 4-pyrimidinol, 6-amino, 4 1h-pyrimidinone, 6-amino, 6-aminopyrimidin-4 3h-one, 4-oxy-6-aminopyrimidine, 6-amino-4-pyrimidinol, 6-amino-3h-pyrimidin-4-one, 6-amino-4 1h-pyrimidinone PubChem CID: 70944 IUPAC Name: 6-amino-1H-pyrimidin-4-one SMILES: C1=C(NC=NC1=O)N

4-Chlorothieno[2,3-d]pyrimidine, Tech., Maybridge

CAS: 14080-59-2 Molecular Formula: C6H3ClN2S Molecular Weight (g/mol): 170.614 MDL Number: MFCD01312373 InChI Key: NZCRUBBNZGVREM-UHFFFAOYSA-N Synonym: 4-chlorothieno 2,3-d pyrimidine, thieno 2,3-d pyrimidine, 4-chloro, 4-chloro-thieno 2,3-d pyrimidine, 4-chlorothiopheno 2,3-d pyrimidine, pubchem14686, acmc-1bujx, ksc522g5h, 4-chloro-thieno 2,3-d-pyrimidine, thieno 2,3-d pyrimidine,4-chloro PubChem CID: 736618 IUPAC Name: 4-chlorothieno[2,3-d]pyrimidine SMILES: C1=CSC2=C1C(=NC=N2)Cl

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