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

C12H12BrN3O — CID 68853358

IUPAC3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(N2CCCC2)nc2ccccn12
InChIInChI=1S/C12H12BrN3O/c13-10-11(15-6-3-4-7-15)14-9-5-1-2-8-16(9)12(10)17/h1-2,5,8H,3-4,6-7H2
InChIKeyCHCVKDYDWXIHCP-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.06
Rot. Bonds1

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

3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 68853358) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID68853358
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Br)c(N2CCCC2)nc2ccccn12
InChIInChI=1S/C12H12BrN3O/c13-10-11(15-6-3-4-7-15)14-9-5-1-2-8-16(9)12(10)17/h1-2,5,8H,3-4,6-7H2
InChIKeyCHCVKDYDWXIHCP-UHFFFAOYSA-N
XLogP2.06
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Bromo-4H-pyrido(1,2-a)pyrimidin-4-one
CID 83892083
3-Bromo-4h-pyrido[1,2-a]pyrimidin-4-one
CID 291523
2-Pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 12843617
7-bromo-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23246545
3-Bromo-2-hydroxy-1-propylpyrido[1,2-a]pyrimidin-1-ium-4-one
CID 66973678
3-bromo-2-(propylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68856979
2-Bromopyrido[1,2-a]pyrimidin-4-one
CID 150886700
2-(Dimethylamino)-7-bromo-5-hydropyridino[1,2-a]pyrimidin-4-one
CID 4677520
7-Bromo-2-(pyrrolidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 8901475
4-(pyrrolidin-1-yl)-2H-pyrido[1,2-a]pyrimidin-2-one
CID 12843612

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 68853358) is 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one is O=c1c(Br)c(N2CCCC2)nc2ccccn12.
What is the InChIKey of 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CHCVKDYDWXIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-11(15-6-3-4-7-15)14-9-5-1-2-8-16(9)12(10)17/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 294.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68853358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).