2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid

C9H12N2O3 — CID 63770397

IUPAC2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(=O)n(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C9H12N2O3/c1-5-4-8(12)11(7(3)10-5)6(2)9(13)14/h4,6H,1-3H3,(H,13,14)
InChIKeyQANXPRKBQSARLL-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.51
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid

2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 63770397) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID63770397
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(=O)n(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C9H12N2O3/c1-5-4-8(12)11(7(3)10-5)6(2)9(13)14/h4,6H,1-3H3,(H,13,14)
InChIKeyQANXPRKBQSARLL-UHFFFAOYSA-N
XLogP0.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (CID 63770397) is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is Cc1cc(=O)n(C(C)C(=O)O)c(C)n1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is QANXPRKBQSARLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-8(12)11(7(3)10-5)6(2)9(13)14/h4,6H,1-3H3,(H,13,14).
What are the key properties of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 63770397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).