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

C12H12BrN3O — CID 115053147

IUPAC9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(Br)cccn12
InChIInChI=1S/C12H12BrN3O/c13-8-3-2-6-16-11(17)7-10(15-12(8)16)9-4-1-5-14-9/h2-3,6-7,9,14H,1,4-5H2
InChIKeyJCKCGWLYGOQZSE-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.88
Rot. Bonds1

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

9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053147) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115053147
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCCN2)nc2c(Br)cccn12
InChIInChI=1S/C12H12BrN3O/c13-8-3-2-6-16-11(17)7-10(15-12(8)16)9-4-1-5-14-9/h2-3,6-7,9,14H,1,4-5H2
InChIKeyJCKCGWLYGOQZSE-UHFFFAOYSA-N
XLogP1.88
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-chloro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115046566
8-bromo-2-[(2S)-pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 141210604
8-bromo-3-methyl-2-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 115051574
7-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038194
2-(2-bromophenyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928821
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
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
4-(2-bromophenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116898799
3,8-dimethyl-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115037395

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 115053147) is 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCCN2)nc2c(Br)cccn12.
What is the InChIKey of 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JCKCGWLYGOQZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-8-3-2-6-16-11(17)7-10(15-12(8)16)9-4-1-5-14-9/h2-3,6-7,9,14H,1,4-5H2.
What are the key properties of 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 294.15 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).