2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

C15H11ClN2OS — CID 51216750

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C15H11ClN2OS/c16-12-5-1-2-6-13(12)20-10-11-9-15(19)18-8-4-3-7-14(18)17-11/h1-9H,10H2
InChIKeyWDPGADJHNUCOMS-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51216750) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51216750
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSc2ccccc2Cl)nc2ccccn12
InChIInChI=1S/C15H11ClN2OS/c16-12-5-1-2-6-13(12)20-10-11-9-15(19)18-8-4-3-7-14(18)17-11/h1-9H,10H2
InChIKeyWDPGADJHNUCOMS-UHFFFAOYSA-N
XLogP3.64
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[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 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one (CID 51216750) is 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSc2ccccc2Cl)nc2ccccn12.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WDPGADJHNUCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-5-1-2-6-13(12)20-10-11-9-15(19)18-8-4-3-7-14(18)17-11/h1-9H,10H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 302.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51216750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).