1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid

C13H12N2O4 — CID 99987427

IUPAC1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid
SMILESCOc1cccc(-n2c(C)c(C(=O)O)cnc2=O)c1
InChIInChI=1S/C13H12N2O4/c1-8-11(12(16)17)7-14-13(18)15(8)9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyPXPJYFAYTOEITP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.25
Rot. Bonds3

About 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid

1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid (PubChem CID 99987427) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid
PubChem CID99987427
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid
SMILESCOc1cccc(-n2c(C)c(C(=O)O)cnc2=O)c1
InChIInChI=1S/C13H12N2O4/c1-8-11(12(16)17)7-14-13(18)15(8)9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,16,17)
InChIKeyPXPJYFAYTOEITP-UHFFFAOYSA-N
XLogP1.25
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921
2-[1-(3-methoxyphenyl)-5-methylimidazol-2-yl]sulfanylacetic acid
CID 81336440
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82384684
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
8-[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 31838228
6-methoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxylic acid
CID 57390973
2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide
CID 32610122
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid (CID 99987427) is 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid is COc1cccc(-n2c(C)c(C(=O)O)cnc2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid?
The InChIKey is PXPJYFAYTOEITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-11(12(16)17)7-14-13(18)15(8)9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid?
1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-2-oxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 99987427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).