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

C16H14FN3O — CID 171704417

IUPAC2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccccc1F)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-19(11-12-6-2-3-7-13(12)17)15-10-16(21)20-9-5-4-8-14(20)18-15/h2-10H,11H2,1H3
InChIKeyGQVAOMAAELRAML-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.47
Rot. Bonds3

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

2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 171704417) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID171704417
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1ccccc1F)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-19(11-12-6-2-3-7-13(12)17)15-10-16(21)20-9-5-4-8-14(20)18-15/h2-10H,11H2,1H3
InChIKeyGQVAOMAAELRAML-UHFFFAOYSA-N
XLogP2.47
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-2-[methyl-(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]acetamide
CID 86805485
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 61412739
N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095479
2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 12843616
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80794453
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N,2-dimethylpyrimidin-4-amine
CID 80899402
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
CID 103888286
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088842
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 171704417) is 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1ccccc1F)c1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GQVAOMAAELRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-19(11-12-6-2-3-7-13(12)17)15-10-16(21)20-9-5-4-8-14(20)18-15/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 171704417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).