9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

C12H13N3O2 — CID 115038189

IUPAC9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2c(O)cccn12
InChIInChI=1S/C12H13N3O2/c16-10-2-1-5-15-11(17)6-9(14-12(10)15)8-3-4-13-7-8/h1-2,5-6,8,13,16H,3-4,7H2
InChIKeyGGBWWNHTMJTEDN-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.48
Rot. Bonds1

About 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115038189) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115038189
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2c(O)cccn12
InChIInChI=1S/C12H13N3O2/c16-10-2-1-5-15-11(17)6-9(14-12(10)15)8-3-4-13-7-8/h1-2,5-6,8,13,16H,3-4,7H2
InChIKeyGGBWWNHTMJTEDN-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038190
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
3-pyrrolidin-3-ylimidazo[1,5-a]pyridin-8-ol
CID 105455282
8-chloro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 105478712
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053147
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115038189) is 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2c(O)cccn12.
What is the InChIKey of 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GGBWWNHTMJTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-2-1-5-15-11(17)6-9(14-12(10)15)8-3-4-13-7-8/h1-2,5-6,8,13,16H,3-4,7H2.
What are the key properties of 9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 231.25 g/mol, XLogP of 0.48, 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-3-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).