4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid

C10H14N2O3 — CID 136930857

IUPAC4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESCc1nc(CCCC(=O)O)[nH]c(=O)c1C
InChIInChI=1S/C10H14N2O3/c1-6-7(2)11-8(12-10(6)15)4-3-5-9(13)14/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyYCUONPVQQLVQQQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.79
Rot. Bonds4

About 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid

4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid (PubChem CID 136930857) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
PubChem CID136930857
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESCc1nc(CCCC(=O)O)[nH]c(=O)c1C
InChIInChI=1S/C10H14N2O3/c1-6-7(2)11-8(12-10(6)15)4-3-5-9(13)14/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyYCUONPVQQLVQQQ-UHFFFAOYSA-N
XLogP0.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The IUPAC name of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid (CID 136930857) is 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The canonical SMILES for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid is Cc1nc(CCCC(=O)O)[nH]c(=O)c1C.
What is the InChIKey of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The InChIKey is YCUONPVQQLVQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-7(2)11-8(12-10(6)15)4-3-5-9(13)14/h3-5H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 136930857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).