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

C17H16FN3O — CID 50787903

IUPAC2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H16FN3O/c1-20(11-13-5-7-14(18)8-6-13)12-15-10-17(22)21-9-3-2-4-16(21)19-15/h2-10H,11-12H2,1H3
InChIKeyFBCJNJLVEFIGDF-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.47
Rot. Bonds4

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

2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787903) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID50787903
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C17H16FN3O/c1-20(11-13-5-7-14(18)8-6-13)12-15-10-17(22)21-9-3-2-4-16(21)19-15/h2-10H,11-12H2,1H3
InChIKeyFBCJNJLVEFIGDF-UHFFFAOYSA-N
XLogP2.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 50787903) is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FBCJNJLVEFIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-20(11-13-5-7-14(18)8-6-13)12-15-10-17(22)21-9-3-2-4-16(21)19-15/h2-10H,11-12H2,1H3.
What are the key properties of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).