2-methyl-3-phenethyl-3H-pyrimidin-4-one

Ligand Id: 713
Ligand name 2-methyl-3-phenethyl-3H-pyrimidin-4-one

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.41
Molecular weight 352.16
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(2E)-5-ethyl-3-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-4-one
Synonyms
compound 2H [PMID: 15863312]
Database Links
BindingDB Ligand 50166504
ChEMBL Ligand CHEMBL194764
PubChem CID 9841421
Search Google for chemical match using the InChIKey FYHAHJQDCZYGNJ-LVZFUZTISA-N
Search Google for chemicals with the same backbone FYHAHJQDCZYGNJ