2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C14H14N2O4 — CID 100523269

IUPAC2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1ccc(Cc2ncc(C(=O)O)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H14N2O4/c1-8-5-9(3-4-11(8)20-2)6-12-15-7-10(14(18)19)13(17)16-12/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyOGEUPIAQPVGHIH-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.38
Rot. Bonds4

About 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 100523269) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID100523269
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOc1ccc(Cc2ncc(C(=O)O)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H14N2O4/c1-8-5-9(3-4-11(8)20-2)6-12-15-7-10(14(18)19)13(17)16-12/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyOGEUPIAQPVGHIH-UHFFFAOYSA-N
XLogP1.38
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100523309
2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021303
methyl 2-[(3,4-dimethylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62904204
2-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28889894
4-(1H-imidazol-2-ylmethyl)-2-methoxybenzoic acid
CID 70490835
4-[(6-methoxy-3-pyridinyl)methyl]-2-methylbenzoic acid
CID 175238679
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 116865013
2-(methylsulfonylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62473467
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
2-(naphthalen-1-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 99976497
6-oxo-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-5-carboxylic acid
CID 65131337

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 100523269) is 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is COc1ccc(Cc2ncc(C(=O)O)c(=O)[nH]2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is OGEUPIAQPVGHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-5-9(3-4-11(8)20-2)6-12-15-7-10(14(18)19)13(17)16-12/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 100523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).