5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid

C15H16N2O4 — CID 141295057

IUPAC5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(Cc2ccc(C)cc2)n(C)c1=O
InChIInChI=1S/C15H16N2O4/c1-9-4-6-10(7-5-9)8-11-16-12(15(19)20)13(21-3)14(18)17(11)2/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyJKJVQQOGPOEZLY-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.39
Rot. Bonds4

About 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid

5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid (PubChem CID 141295057) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid
PubChem CID141295057
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(Cc2ccc(C)cc2)n(C)c1=O
InChIInChI=1S/C15H16N2O4/c1-9-4-6-10(7-5-9)8-11-16-12(15(19)20)13(21-3)14(18)17(11)2/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyJKJVQQOGPOEZLY-UHFFFAOYSA-N
XLogP1.39
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-iodo-2-[(4-methoxyphenyl)methyl]-1-methylimidazole-4-carboxylate
CID 171514554
N-[3-[4-[2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carbonyl]piperazin-1-yl]propyl]-3,4-dihydroxybenzamide
CID 118727053
5-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-one
CID 59016044
3-methyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058901
2-ethyl-5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-one
CID 12034000
5-bromo-2-[(4-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168685
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
2-methoxy-1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene
CID 71397696
2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]propanedioic acid
CID 58403888
ethyl 2-(benzhydrylamino)-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 155590458
2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 26841382
lithium;2-[1-(2-chlorophenyl)-1-phenylpropan-2-yl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid;hydride
CID 175532892

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid (CID 141295057) is 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid is COc1c(C(=O)O)nc(Cc2ccc(C)cc2)n(C)c1=O.
What is the InChIKey of 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is JKJVQQOGPOEZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-4-6-10(7-5-9)8-11-16-12(15(19)20)13(21-3)14(18)17(11)2/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid?
5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-[(4-methylphenyl)methyl]-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 141295057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).