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

C12H13N3O2 — CID 115038194

IUPAC7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2ccc(O)cn12
InChIInChI=1S/C12H13N3O2/c16-8-3-4-11-14-10(9-2-1-5-13-9)6-12(17)15(11)7-8/h3-4,6-7,9,13,16H,1-2,5H2
InChIKeyCAHPCRWSJQQORM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.82
Rot. Bonds1

About 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one

7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115038194) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115038194
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2ccc(O)cn12
InChIInChI=1S/C12H13N3O2/c16-8-3-4-11-14-10(9-2-1-5-13-9)6-12(17)15(11)7-8/h3-4,6-7,9,13,16H,1-2,5H2
InChIKeyCAHPCRWSJQQORM-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 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-pyrrolidin-2-ylimidazo[1,2-a]pyridin-6-ol
CID 115022960
9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038190
9-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053147
9-chloro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115046566
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-6-ol
CID 117253655
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253657
(2-pyrrolidin-2-ylimidazo[1,2-a]pyridin-5-yl)methanamine
CID 117131741
3-methyl-2-piperidin-3-ylimidazo[1,2-a]pyridin-6-ol
CID 115038385

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115038194) is 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2ccc(O)cn12.
What is the InChIKey of 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CAHPCRWSJQQORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-8-3-4-11-14-10(9-2-1-5-13-9)6-12(17)15(11)7-8/h3-4,6-7,9,13,16H,1-2,5H2.
What are the key properties of 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
7-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 7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115038194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).