4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

C13H12N2O4 — CID 28799435

IUPAC4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C13H12N2O4/c1-7-3-4-11(19-2)8(5-7)9-6-10(12(16)17)15-13(18)14-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyXZBMKQMWTLOHHR-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.45
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid

4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 28799435) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
PubChem CID28799435
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)[nH]c(=O)n1
InChIInChI=1S/C13H12N2O4/c1-7-3-4-11(19-2)8(5-7)9-6-10(12(16)17)15-13(18)14-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyXZBMKQMWTLOHHR-UHFFFAOYSA-N
XLogP1.45
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
ethyl 4-[4-(2,5-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332427
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
4-(2-methoxy-4,5-dimethylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894751
2-(2-methoxy-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63017459

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid (CID 28799435) is 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is COc1ccc(C)cc1-c1cc(C(=O)O)[nH]c(=O)n1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is XZBMKQMWTLOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-3-4-11(19-2)8(5-7)9-6-10(12(16)17)15-13(18)14-9/h3-6H,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid?
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28799435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).