3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H9ClN2O — CID 13155591

IUPAC3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(Cl)c(C)nc2c1
InChIInChI=1S/C10H9ClN2O/c1-6-3-4-13-8(5-6)12-7(2)9(11)10(13)14/h3-5H,1-2H3
InChIKeyDFSUFUPGLOJHGV-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.96
Rot. Bonds

About 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one

3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 13155591) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID13155591
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(Cl)c(C)nc2c1
InChIInChI=1S/C10H9ClN2O/c1-6-3-4-13-8(5-6)12-7(2)9(11)10(13)14/h3-5H,1-2H3
InChIKeyDFSUFUPGLOJHGV-UHFFFAOYSA-N
XLogP1.96
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2,8-dimethylpyrido[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-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 13155591) is 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(Cl)c(C)nc2c1.
What is the InChIKey of 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DFSUFUPGLOJHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-3-4-13-8(5-6)12-7(2)9(11)10(13)14/h3-5H,1-2H3.
What are the key properties of 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one?
3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13155591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).