9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one

C15H16BrF2N3O — CID 169154723

IUPAC9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)c(C)c(=O)n2c1
InChIInChI=1S/C15H16BrF2N3O/c1-9-7-11(16)13-19-12(10(2)14(22)21(13)8-9)20-5-3-15(17,18)4-6-20/h7-8H,3-6H2,1-2H3
InChIKeyJMKMPWCFOGZONS-UHFFFAOYSA-N
MW372.21 g/mol
LogP3.31
Rot. Bonds1

About 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one

9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 169154723) has the molecular formula C15H16BrF2N3O and a molecular weight of 372.21 g/mol. Its IUPAC name is 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID169154723
Molecular FormulaC15H16BrF2N3O
Molecular Weight372.21 g/mol
Exact Mass371.04
IUPAC Name9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Br)c2nc(N3CCC(F)(F)CC3)c(C)c(=O)n2c1
InChIInChI=1S/C15H16BrF2N3O/c1-9-7-11(16)13-19-12(10(2)14(22)21(13)8-9)20-5-3-15(17,18)4-6-20/h7-8H,3-6H2,1-2H3
InChIKeyJMKMPWCFOGZONS-UHFFFAOYSA-N
XLogP3.31
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 169154723) is 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(Br)c2nc(N3CCC(F)(F)CC3)c(C)c(=O)n2c1.
What is the InChIKey of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JMKMPWCFOGZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2N3O/c1-9-7-11(16)13-19-12(10(2)14(22)21(13)8-9)20-5-3-15(17,18)4-6-20/h7-8H,3-6H2,1-2H3.
What are the key properties of 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 372.21 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(4,4-difluoropiperidin-1-yl)-3,7-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 169154723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).