9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one

C12H13N3O2 — CID 115038190

IUPAC9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(O)cccn12
InChIInChI=1S/C12H13N3O2/c16-10-4-2-6-15-11(17)7-9(14-12(10)15)8-3-1-5-13-8/h2,4,6-8,13,16H,1,3,5H2
InChIKeyYXWMWDVNYOHJNH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.82
Rot. Bonds1

About 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115038190) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115038190
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(O)cccn12
InChIInChI=1S/C12H13N3O2/c16-10-4-2-6-15-11(17)7-9(14-12(10)15)8-3-1-5-13-8/h2,4,6-8,13,16H,1,3,5H2
InChIKeyYXWMWDVNYOHJNH-UHFFFAOYSA-N
XLogP0.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-hydroxy-2-pyrrolidin-2-ylpyrido[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

9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053147
9-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
9-chloro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115046566
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038194
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
8-bromo-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 141210604
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054544
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
8-bromo-3-methyl-2-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 115051574

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115038190) is 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2c(O)cccn12.
What is the InChIKey of 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YXWMWDVNYOHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-4-2-6-15-11(17)7-9(14-12(10)15)8-3-1-5-13-8/h2,4,6-8,13,16H,1,3,5H2.
What are the key properties of 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 231.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115038190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).