7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H15BrFN3O — CID 8908783

IUPAC7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cccc(F)c1)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C17H15BrFN3O/c1-21(9-12-3-2-4-14(19)7-12)11-15-8-17(23)22-10-13(18)5-6-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyOACOWBCDVJRQMH-UHFFFAOYSA-N
MW376.23 g/mol
LogP3.23
Rot. Bonds4

About 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 8908783) has the molecular formula C17H15BrFN3O and a molecular weight of 376.23 g/mol. Its IUPAC name is 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID8908783
Molecular FormulaC17H15BrFN3O
Molecular Weight376.23 g/mol
Exact Mass375.04
IUPAC Name7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cccc(F)c1)Cc1cc(=O)n2cc(Br)ccc2n1
InChIInChI=1S/C17H15BrFN3O/c1-21(9-12-3-2-4-14(19)7-12)11-15-8-17(23)22-10-13(18)5-6-16(22)20-15/h2-8,10H,9,11H2,1H3
InChIKeyOACOWBCDVJRQMH-UHFFFAOYSA-N
XLogP3.23
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 8908783) is 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cccc(F)c1)Cc1cc(=O)n2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OACOWBCDVJRQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O/c1-21(9-12-3-2-4-14(19)7-12)11-15-8-17(23)22-10-13(18)5-6-16(22)20-15/h2-8,10H,9,11H2,1H3.
What are the key properties of 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[[(3-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8908783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).