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

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Related Compounds

2-(3,4-Dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741354
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 663493
N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237790
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-phenylimidazol-4-one
CID 1847020
2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 20152292
2-(3,4-Dimethoxyphenyl)-3-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 76331965
2-imino-5-keto-1-(3-methoxypropyl)-N-piperonyl-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide
CID 662908
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzo[d][1,3]dioxole-5-carboxamide
CID 16799372
2-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122393958
3-(1,3-Benzodioxol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 134135279
2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76328277

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).