2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid

C9H12N2O3 — CID 83858504

IUPAC2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C9H12N2O3/c1-3-6(8(12)13)7-4-5(2)10-9(14)11-7/h4,6H,3H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyOVRDYUKJRCUNIP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.66
Rot. Bonds3

About 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid

2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid (PubChem CID 83858504) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
PubChem CID83858504
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C9H12N2O3/c1-3-6(8(12)13)7-4-5(2)10-9(14)11-7/h4,6H,3H2,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyOVRDYUKJRCUNIP-UHFFFAOYSA-N
XLogP0.66
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid hydrochloride
CID 71308010
6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid hydrate
CID 75530618
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
CID 82468023
3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 82468378
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 82469194
2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852014
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
2-(4-cyclobutyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852186
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid (CID 83858504) is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid is CCC(C(=O)O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The InChIKey is OVRDYUKJRCUNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-6(8(12)13)7-4-5(2)10-9(14)11-7/h4,6H,3H2,1-2H3,(H,12,13)(H,10,11,14).
What are the key properties of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 83858504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).