5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid

C13H12N2O5 — CID 54711736

IUPAC5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(O)c(=O)n1C
InChIInChI=1S/C13H12N2O5/c1-15-11(7-5-3-4-6-8(7)20-2)14-9(13(18)19)10(16)12(15)17/h3-6,16H,1-2H3,(H,18,19)
InChIKeyCFYWMMXPVWWAAY-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.86
Rot. Bonds3

About 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid

5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 54711736) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID54711736
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(O)c(=O)n1C
InChIInChI=1S/C13H12N2O5/c1-15-11(7-5-3-4-6-8(7)20-2)14-9(13(18)19)10(16)12(15)17/h3-6,16H,1-2H3,(H,18,19)
InChIKeyCFYWMMXPVWWAAY-UHFFFAOYSA-N
XLogP0.86
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252544
3-(2-methoxyphenyl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250797
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
CID 143174772
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
CID 54691437
3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
CID 94771493
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
8-(2-methoxyphenyl)-3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
CID 88896689
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 54711736) is 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid is COc1ccccc1-c1nc(C(=O)O)c(O)c(=O)n1C.
What is the InChIKey of 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is CFYWMMXPVWWAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-15-11(7-5-3-4-6-8(7)20-2)14-9(13(18)19)10(16)12(15)17/h3-6,16H,1-2H3,(H,18,19).
What are the key properties of 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid?
5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 54711736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).