2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C15H10N2O3 — CID 134132165

IUPAC2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H10N2O3/c18-15-8-11(16-14-3-1-2-6-17(14)15)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2
InChIKeyOMQMAOWFPATUQJ-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.09
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one

2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134132165) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID134132165
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccc3c(c2)OCO3)nc2ccccn12
InChIInChI=1S/C15H10N2O3/c18-15-8-11(16-14-3-1-2-6-17(14)15)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2
InChIKeyOMQMAOWFPATUQJ-UHFFFAOYSA-N
XLogP2.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)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-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 134132165) is 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccc3c(c2)OCO3)nc2ccccn12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OMQMAOWFPATUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15-8-11(16-14-3-1-2-6-17(14)15)10-4-5-12-13(7-10)20-9-19-12/h1-8H,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134132165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).