3-methyl-2-propylpyrimidin-4-one

C8H12N2O — CID 154512447

IUPAC3-methyl-2-propylpyrimidin-4-one
SMILESCCCc1nccc(=O)n1C
InChIInChI=1S/C8H12N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h5-6H,3-4H2,1-2H3
InChIKeyOYTDNMBJXYABLK-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.73
Rot. Bonds2

About 3-methyl-2-propylpyrimidin-4-one

3-methyl-2-propylpyrimidin-4-one (PubChem CID 154512447) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-2-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-propylpyrimidin-4-one
PubChem CID154512447
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-2-propylpyrimidin-4-one
SMILESCCCc1nccc(=O)n1C
InChIInChI=1S/C8H12N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h5-6H,3-4H2,1-2H3
InChIKeyOYTDNMBJXYABLK-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-propylpyrimidin-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-methyl-2-propylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-propylpyrimidin-4-one (CID 154512447) is 3-methyl-2-propylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-propylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-propylpyrimidin-4-one is CCCc1nccc(=O)n1C.
What is the InChIKey of 3-methyl-2-propylpyrimidin-4-one?
The InChIKey is OYTDNMBJXYABLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-9-6-5-8(11)10(7)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-propylpyrimidin-4-one?
3-methyl-2-propylpyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylpyrimidin-4-one is sourced from PubChem (CID 154512447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).