3-(2-methylpropyl)pyrimidin-4-one

C8H12N2O — CID 58125153

IUPAC3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnccc1=O
InChIInChI=1S/C8H12N2O/c1-7(2)5-10-6-9-4-3-8(10)11/h3-4,6-7H,5H2,1-2H3
InChIKeyOHUXTDACRXJSCO-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.90
Rot. Bonds2

About 3-(2-methylpropyl)pyrimidin-4-one

3-(2-methylpropyl)pyrimidin-4-one (PubChem CID 58125153) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)pyrimidin-4-one
PubChem CID58125153
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cn1cnccc1=O
InChIInChI=1S/C8H12N2O/c1-7(2)5-10-6-9-4-3-8(10)11/h3-4,6-7H,5H2,1-2H3
InChIKeyOHUXTDACRXJSCO-UHFFFAOYSA-N
XLogP0.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)pyrimidin-4-one 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-methylpropyl)pyrimidin-4-one?
The IUPAC name of 3-(2-methylpropyl)pyrimidin-4-one (CID 58125153) is 3-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)pyrimidin-4-one is CC(C)Cn1cnccc1=O.
What is the InChIKey of 3-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is OHUXTDACRXJSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7(2)5-10-6-9-4-3-8(10)11/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)pyrimidin-4-one?
3-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 58125153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).