3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C13H20N2O — CID 67962404

IUPAC3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-3-4-7-11-10(2)14-12-8-5-6-9-15(12)13(11)16/h3-9H2,1-2H3
InChIKeyJVXJNRZKZOGEPF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds3

About 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 67962404) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID67962404
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-3-4-7-11-10(2)14-12-8-5-6-9-15(12)13(11)16/h3-9H2,1-2H3
InChIKeyJVXJNRZKZOGEPF-UHFFFAOYSA-N
XLogP2.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[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-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 67962404) is 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CCCCc1c(C)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JVXJNRZKZOGEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-7-11-10(2)14-12-8-5-6-9-15(12)13(11)16/h3-9H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67962404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).