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Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.
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1 – 15 of 72 results
1

Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

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-]

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

4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 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: O=C1CC(=O)NC(=S)N1

PubChem CID 2723628
CAS 504-17-6
Molecular Weight (g/mol) 144.15
ChEBI CHEBI:33202
MDL Number MFCD00006674
SMILES O=C1CC(=O)NC(=S)N1
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
IUPAC Name 2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Formula C4H4N2O2S
3

4,6-Dichloro-2-methylpyrimidine, 97%, Thermo Scientific™

CAS: 1780-26-3 Molecular Formula: C5H4Cl2N2 Molecular Weight (g/mol): 163.01 MDL Number: MFCD00090472 InChI Key: FIMUTBLUWQGTIJ-UHFFFAOYSA-N Synonym: 2-methyl-4,6-dichloropyrimidine,4,6-dichloro-2-methyl-pyrimidine,2-mdcp,pyrimidine, 4,6-dichloro-2-methyl,4,6-dichloro-2-methylpyrimidiine,4,6-dichlor-2-methylpyrimidin,4,6-dichloro-2-methyl pyrimidine,pubchem7075,acmc-1bpg6,ksc490s3h PubChem CID: 234997 IUPAC Name: 4,6-dichloro-2-methylpyrimidine SMILES: CC1=NC(=CC(=N1)Cl)Cl

PubChem CID 234997
CAS 1780-26-3
Molecular Weight (g/mol) 163.01
MDL Number MFCD00090472
SMILES CC1=NC(=CC(=N1)Cl)Cl
Synonym 2-methyl-4,6-dichloropyrimidine,4,6-dichloro-2-methyl-pyrimidine,2-mdcp,pyrimidine, 4,6-dichloro-2-methyl,4,6-dichloro-2-methylpyrimidiine,4,6-dichlor-2-methylpyrimidin,4,6-dichloro-2-methyl pyrimidine,pubchem7075,acmc-1bpg6,ksc490s3h
IUPAC Name 4,6-dichloro-2-methylpyrimidine
InChI Key FIMUTBLUWQGTIJ-UHFFFAOYSA-N
Molecular Formula C5H4Cl2N2
4

3-Pyrimidin-5-ylbenzaldehyde, 97%, Thermo Scientific™

CAS: 640769-70-6 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD05864833 InChI Key: RAHJVJBPRWJPHE-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl PubChem CID: 4187249 IUPAC Name: 3-pyrimidin-5-ylbenzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=CN=CN=C2

PubChem CID 4187249
CAS 640769-70-6
Molecular Weight (g/mol) 184.198
MDL Number MFCD05864833
SMILES C1=CC(=CC(=C1)C=O)C2=CN=CN=C2
Synonym 3-pyrimidin-5-yl benzaldehyde,3-pyrimidin-5-yl-benzaldehyde,3-5-pyrimidinyl benzaldehyde,benzaldehyde, 3-5-pyrimidinyl,acmc-1b2vh,benzaldehyde,3-5-pyrimidinyl
IUPAC Name 3-pyrimidin-5-ylbenzaldehyde
InChI Key RAHJVJBPRWJPHE-UHFFFAOYSA-N
Molecular Formula C11H8N2O
5

4-Pyrimidin-5-ylbenzoic acid, ≥97%, Thermo Scientific™

CAS: 216959-91-0 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD05864811 InChI Key: CCBKADQVSXLSDN-UHFFFAOYSA-N Synonym: 4-pyrimidin-5-yl benzoic acid,4-pyrimidin-5-yl-benzoic acid,4-5-pyrimidinyl benzoic acid,benzoic acid, 4-5-pyrimidinyl PubChem CID: 4187247 IUPAC Name: 4-pyrimidin-5-ylbenzoic acid SMILES: C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O

PubChem CID 4187247
CAS 216959-91-0
Molecular Weight (g/mol) 200.197
MDL Number MFCD05864811
SMILES C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O
Synonym 4-pyrimidin-5-yl benzoic acid,4-pyrimidin-5-yl-benzoic acid,4-5-pyrimidinyl benzoic acid,benzoic acid, 4-5-pyrimidinyl
IUPAC Name 4-pyrimidin-5-ylbenzoic acid
InChI Key CCBKADQVSXLSDN-UHFFFAOYSA-N
Molecular Formula C11H8N2O2
6

5-Amino-4,6-dichloropyrimidine, 97%

CAS: 5413-85-4 Molecular Formula: C4H3Cl2N3 Molecular Weight (g/mol): 163.99 MDL Number: MFCD00006108 InChI Key: NIGDWBHWHVHOAD-UHFFFAOYSA-N Synonym: 5-amino-4,6-dichloropyrimidine,5-pyrimidinamine, 4,6-dichloro,4,6-dichloro-5-pyrimidinamine,4,6-dichloro-5-aminopyrimidine,4,6-dichloropyrimidin-5-ylamine,5-amine-4,6-dichloropyrimidine,5-amino-4,6-dichloropyfimidine,4,6-dichloro-pyrimidin-5-ylamine,pyrimidine, 5-amino-4,6-dichloro,4,6-dichloropyrimidine-5-ylamine PubChem CID: 79434 IUPAC Name: 4,6-dichloropyrimidin-5-amine SMILES: NC1=C(Cl)N=CN=C1Cl

PubChem CID 79434
CAS 5413-85-4
Molecular Weight (g/mol) 163.99
MDL Number MFCD00006108
SMILES NC1=C(Cl)N=CN=C1Cl
Synonym 5-amino-4,6-dichloropyrimidine,5-pyrimidinamine, 4,6-dichloro,4,6-dichloro-5-pyrimidinamine,4,6-dichloro-5-aminopyrimidine,4,6-dichloropyrimidin-5-ylamine,5-amine-4,6-dichloropyrimidine,5-amino-4,6-dichloropyfimidine,4,6-dichloro-pyrimidin-5-ylamine,pyrimidine, 5-amino-4,6-dichloro,4,6-dichloropyrimidine-5-ylamine
IUPAC Name 4,6-dichloropyrimidin-5-amine
InChI Key NIGDWBHWHVHOAD-UHFFFAOYSA-N
Molecular Formula C4H3Cl2N3
7

4,6-Dichloropyrimidine, 97%

CAS: 1193-21-1 Molecular Formula: C4H2Cl2N2 Molecular Weight (g/mol): 148.97 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: ClC1=CC(Cl)=NC=N1

PubChem CID 70943
CAS 1193-21-1
Molecular Weight (g/mol) 148.97
MDL Number MFCD00006109
SMILES ClC1=CC(Cl)=NC=N1
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
IUPAC Name 4,6-dichloropyrimidine
InChI Key XJPZKYIHCLDXST-UHFFFAOYSA-N
Molecular Formula C4H2Cl2N2
8

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

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

2-Methylsulfanylpyrimidine-4-carboxylic acid, 97%

CAS: 1126-44-9 Molecular Formula: C6H6N2O2S Molecular Weight (g/mol): 170.19 MDL Number: MFCD09834808 InChI Key: IAGNLKODEFUQDV-UHFFFAOYSA-N Synonym: 2-methylthio pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylic acid,2-methylthiopyrimidine-4-carboxylic acid,2-thiomethylpyrimidine-4-carboxylic acid,2-methylsulfanyl pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylicacid,2-methylthio-4-pyrimidinecarboxylic acid,2-thioformylpyrimidine-4-carboxylic acid,2-methylthio-4-pyrimidinecarboxylicacid,2-mthylsulfanyl-pyrimidine-4-carboxylic acid PubChem CID: 295775 IUPAC Name: 2-methylsulfanylpyrimidine-4-carboxylic acid SMILES: CSC1=NC=CC(=N1)C(O)=O

PubChem CID 295775
CAS 1126-44-9
Molecular Weight (g/mol) 170.19
MDL Number MFCD09834808
SMILES CSC1=NC=CC(=N1)C(O)=O
Synonym 2-methylthio pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylic acid,2-methylthiopyrimidine-4-carboxylic acid,2-thiomethylpyrimidine-4-carboxylic acid,2-methylsulfanyl pyrimidine-4-carboxylic acid,2-methylsulfanyl-pyrimidine-4-carboxylicacid,2-methylthio-4-pyrimidinecarboxylic acid,2-thioformylpyrimidine-4-carboxylic acid,2-methylthio-4-pyrimidinecarboxylicacid,2-mthylsulfanyl-pyrimidine-4-carboxylic acid
IUPAC Name 2-methylsulfanylpyrimidine-4-carboxylic acid
InChI Key IAGNLKODEFUQDV-UHFFFAOYSA-N
Molecular Formula C6H6N2O2S
10

4-Chlorothieno[2,3-d]pyrimidine, Tech., Thermo Scientific™

CAS: 14080-59-2 Molecular Formula: C6H3ClN2S Molecular Weight (g/mol): 170.61 MDL Number: MFCD01312373 InChI Key: NZCRUBBNZGVREM-UHFFFAOYSA-N PubChem CID: 736618 IUPAC Name: 4-chlorothieno[2,3-d]pyrimidine SMILES: ClC1=C2C=CSC2=NC=N1

PubChem CID 736618
CAS 14080-59-2
Molecular Weight (g/mol) 170.61
MDL Number MFCD01312373
SMILES ClC1=C2C=CSC2=NC=N1
IUPAC Name 4-chlorothieno[2,3-d]pyrimidine
InChI Key NZCRUBBNZGVREM-UHFFFAOYSA-N
Molecular Formula C6H3ClN2S
11

4-Chlorothieno[3,2-d]pyrimidine, 97%, Thermo Scientific™

CAS: 16269-66-2 Molecular Formula: C6H3ClN2S Molecular Weight (g/mol): 170.614 MDL Number: MFCD00122144 InChI Key: TWTODSLDHCDLDR-UHFFFAOYSA-N Synonym: 4-chlorothieno 3,2-d pyrimidine,thieno 3,2-d pyrimidine, 4-chloro,4-chloro-thieno 3,2-d pyrimidine,4-chlorothieno 3,2-d-pyrimidine,4-chlorothiopheno 3,2-d pyrimidine,pubchem14662,4-chlorothienopyrimidine,acmc-209dov PubChem CID: 2735821 IUPAC Name: 4-chlorothieno[3,2-d]pyrimidine SMILES: C1=CSC2=C1N=CN=C2Cl

PubChem CID 2735821
CAS 16269-66-2
Molecular Weight (g/mol) 170.614
MDL Number MFCD00122144
SMILES C1=CSC2=C1N=CN=C2Cl
Synonym 4-chlorothieno 3,2-d pyrimidine,thieno 3,2-d pyrimidine, 4-chloro,4-chloro-thieno 3,2-d pyrimidine,4-chlorothieno 3,2-d-pyrimidine,4-chlorothiopheno 3,2-d pyrimidine,pubchem14662,4-chlorothienopyrimidine,acmc-209dov
IUPAC Name 4-chlorothieno[3,2-d]pyrimidine
InChI Key TWTODSLDHCDLDR-UHFFFAOYSA-N
Molecular Formula C6H3ClN2S
12

2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid, 97%, Thermo Scientific™

CAS: 127958-10-5 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 MDL Number: MFCD02682072 InChI Key: XKJAQESOTNACHT-UHFFFAOYSA-N PubChem CID: 2776510 IUPAC Name: 2-methyl-4-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O

PubChem CID 2776510
CAS 127958-10-5
Molecular Weight (g/mol) 214.224
MDL Number MFCD02682072
SMILES CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O
IUPAC Name 2-methyl-4-phenylpyrimidine-5-carboxylic acid
InChI Key XKJAQESOTNACHT-UHFFFAOYSA-N
Molecular Formula C12H10N2O2
13

(3-Pyrimidin-5-ylphenyl)methanol, ≥97%, Thermo Scientific™

CAS: 852180-75-7 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD06802882 InChI Key: PUCNXFUXTNDXKP-UHFFFAOYSA-N Synonym: 3-pyrimidin-5-ylphenyl methanol,3-pyrimidin-5-yl phenyl methanol,3-5-pyrimidinyl phenyl methanol,benzenemethanol,3-5-pyrimidinyl,3-pyrimidin-5-ylphenyl methan-1-ol PubChem CID: 7162050 SMILES: OCC1=CC=CC(=C1)C1=CN=CN=C1

PubChem CID 7162050
CAS 852180-75-7
Molecular Weight (g/mol) 186.21
MDL Number MFCD06802882
SMILES OCC1=CC=CC(=C1)C1=CN=CN=C1
Synonym 3-pyrimidin-5-ylphenyl methanol,3-pyrimidin-5-yl phenyl methanol,3-5-pyrimidinyl phenyl methanol,benzenemethanol,3-5-pyrimidinyl,3-pyrimidin-5-ylphenyl methan-1-ol
InChI Key PUCNXFUXTNDXKP-UHFFFAOYSA-N
Molecular Formula C11H10N2O
14

6-Hydroxy-2,4-dimethylpyrimidine, 99%

CAS: 6622-92-0 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00006105 InChI Key: UQFHLJKWYIJISA-UHFFFAOYSA-N Synonym: 2,4-dimethyl-6-hydroxypyrimidine,2,6-dimethylpyrimidin-4-ol,4-hydroxy-2,6-dimethylpyrimidine,6-hydroxy-2,4-dimethylpyrimidine,2,6-dimethyl-4-pyrimidinol,4 1h-pyrimidinone, 2,6-dimethyl,2,6-dimethyl-4-hydroxypyrimidine,2,6-dimethylpyrimidin-4 3h-one,2,4-dimethyl-6-oxypyrimidine,t6vm dnj c1 e1 PubChem CID: 81098 IUPAC Name: 2,6-dimethyl-1H-pyrimidin-4-one SMILES: CC1=CC(=O)N=C(N1)C

PubChem CID 81098
CAS 6622-92-0
Molecular Weight (g/mol) 124.143
MDL Number MFCD00006105
SMILES CC1=CC(=O)N=C(N1)C
Synonym 2,4-dimethyl-6-hydroxypyrimidine,2,6-dimethylpyrimidin-4-ol,4-hydroxy-2,6-dimethylpyrimidine,6-hydroxy-2,4-dimethylpyrimidine,2,6-dimethyl-4-pyrimidinol,4 1h-pyrimidinone, 2,6-dimethyl,2,6-dimethyl-4-hydroxypyrimidine,2,6-dimethylpyrimidin-4 3h-one,2,4-dimethyl-6-oxypyrimidine,t6vm dnj c1 e1
IUPAC Name 2,6-dimethyl-1H-pyrimidin-4-one
InChI Key UQFHLJKWYIJISA-UHFFFAOYSA-N
Molecular Formula C6H8N2O
15

(4-Pyrimidin-5-ylphenyl)methanol, ≥97%, Thermo Scientific™

CAS: 198084-13-8 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD06802874 InChI Key: QPOIDCHBWLGFGU-UHFFFAOYSA-N Synonym: 4-pyrimidin-5-ylphenyl methanol,4-pyrimidin-5-yl phenyl methanol,4-5-pyrimidinyl phenyl methanol,4-pyrimidin-5-yl-phenyl-methanol,4-5-pyrimidinyl-benzyl alcohol,benzenemethanol,4-5-pyrimidinyl,4-pyrimidin-5-ylphenyl methan-1-ol,swx PubChem CID: 7162046 IUPAC Name: (4-pyrimidin-5-ylphenyl)methanol SMILES: C1=CC(=CC=C1CO)C2=CN=CN=C2

PubChem CID 7162046
CAS 198084-13-8
Molecular Weight (g/mol) 186.214
MDL Number MFCD06802874
SMILES C1=CC(=CC=C1CO)C2=CN=CN=C2
Synonym 4-pyrimidin-5-ylphenyl methanol,4-pyrimidin-5-yl phenyl methanol,4-5-pyrimidinyl phenyl methanol,4-pyrimidin-5-yl-phenyl-methanol,4-5-pyrimidinyl-benzyl alcohol,benzenemethanol,4-5-pyrimidinyl,4-pyrimidin-5-ylphenyl methan-1-ol,swx
IUPAC Name (4-pyrimidin-5-ylphenyl)methanol
InChI Key QPOIDCHBWLGFGU-UHFFFAOYSA-N
Molecular Formula C11H10N2O