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

C12H12BrN3O — CID 115053152

IUPAC6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(Br)n12
InChIInChI=1S/C12H12BrN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2
InChIKeyBDARTDCLTRKKHX-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.53
Rot. Bonds1

About 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one

6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115053152) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115053152
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2cccc(Br)n12
InChIInChI=1S/C12H12BrN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2
InChIKeyBDARTDCLTRKKHX-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054621
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115039709
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631
7-methyl-2-piperidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054664
6-bromo-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazine
CID 84711810
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
CID 115054616
7-bromo-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83844620

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one (CID 115053152) is 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2cccc(Br)n12.
What is the InChIKey of 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDARTDCLTRKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-2-1-3-11-15-9(6-12(17)16(10)11)8-4-5-14-7-8/h1-3,6,8,14H,4-5,7H2.
What are the key properties of 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one?
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 294.15 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115053152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).