2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H13ClN2O2 — CID 83898980

IUPAC2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)Cc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H13ClN2O2/c1-7(15)6-8-10(12)13-9-4-2-3-5-14(9)11(8)16/h2-6H2,1H3
InChIKeyJGUMCMPVUWEZKZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.36
Rot. Bonds2

About 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83898980) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83898980
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)Cc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H13ClN2O2/c1-7(15)6-8-10(12)13-9-4-2-3-5-14(9)11(8)16/h2-6H2,1H3
InChIKeyJGUMCMPVUWEZKZ-UHFFFAOYSA-N
XLogP1.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-3-(2-oxopropyl)-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

Related Compounds

4H-Pyrido[1,2-a]pyrimidin-4-one, 3-acetyl-2-amino-6,7,8,9-tetrahydro-
CID 34851988
2-(2-Chloro-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 83892712
3-Acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83892713
2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83892714
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
3-(2-Aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83898980) is 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(=O)Cc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JGUMCMPVUWEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(15)6-8-10(12)13-9-4-2-3-5-14(9)11(8)16/h2-6H2,1H3.
What are the key properties of 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 240.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83898980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).