3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid

C10H14N2O3 — CID 63767935

IUPAC3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCc1cc(=O)n(CC(C)C(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-6(10(14)15)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyCEELBIAKKHAQDJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds3

About 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid

3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid (PubChem CID 63767935) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid
PubChem CID63767935
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCc1cc(=O)n(CC(C)C(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-6(10(14)15)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyCEELBIAKKHAQDJ-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic 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 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid (CID 63767935) is 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid is Cc1cc(=O)n(CC(C)C(=O)O)c(C)n1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The InChIKey is CEELBIAKKHAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(10(14)15)5-12-8(3)11-7(2)4-9(12)13/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid?
3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 63767935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).