3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one

C14H18N2O — CID 12527414

IUPAC3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1nc2cccc(C)n2c(=O)c1CC
InChIInChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3
InChIKeyFWVLXBFVCTXOOF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds3

About 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one

3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 12527414) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID12527414
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1nc2cccc(C)n2c(=O)c1CC
InChIInChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3
InChIKeyFWVLXBFVCTXOOF-UHFFFAOYSA-N
XLogP2.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-methyl-2-propylpyrido[1,2-a]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-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one (CID 12527414) is 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1nc2cccc(C)n2c(=O)c1CC.
What is the InChIKey of 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FWVLXBFVCTXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one?
3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12527414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).