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

C15H11FN2O — CID 53309949

IUPAC3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyBDABLGBGTKLLBK-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.42
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 53309949) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID53309949
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1nc2ccccn2cc1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2
InChIKeyBDABLGBGTKLLBK-UHFFFAOYSA-N
XLogP2.42
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135399285
7-Bromo-3-[(4-bromophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310095
3-benzyl-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454301
3-(4-Methylphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122203481
7-Chloro-3-[(4-methylphenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53310096
1-methyl-5-phenyl-4(1H)-pyrimidinone
CID 12284401
7-Chloro-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
CID 53309950
3-[[4-Fluoro-2-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidin-2-one
CID 90666047
9-Amino-3-benzylpyrido[1,2-a]pyrimidin-2-one
CID 90666049
6-Methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 610461
3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 101891981
2-hydroxy-8-methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135445449

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 53309949) is 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is O=c1nc2ccccn2cc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is BDABLGBGTKLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-13-6-4-11(5-7-13)9-12-10-18-8-2-1-3-14(18)17-15(12)19/h1-8,10H,9H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 53309949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).