2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one

C25H19FN2O — CID 3621837

IUPAC2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one
SMILESCc1c(-c2ccccc2)c(=O)nc(C=Cc2ccccc2F)n1-c1ccccc1
InChIInChI=1S/C25H19FN2O/c1-18-24(20-11-4-2-5-12-20)25(29)27-23(28(18)21-13-6-3-7-14-21)17-16-19-10-8-9-15-22(19)26/h2-17H,1H3
InChIKeyPAVNCRATLOKCLI-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.52
Rot. Bonds4

About 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one

2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one (PubChem CID 3621837) has the molecular formula C25H19FN2O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one
PubChem CID3621837
Molecular FormulaC25H19FN2O
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one
SMILESCc1c(-c2ccccc2)c(=O)nc(C=Cc2ccccc2F)n1-c1ccccc1
InChIInChI=1S/C25H19FN2O/c1-18-24(20-11-4-2-5-12-20)25(29)27-23(28(18)21-13-6-3-7-14-21)17-16-19-10-8-9-15-22(19)26/h2-17H,1H3
InChIKeyPAVNCRATLOKCLI-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one?
The IUPAC name of 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one (CID 3621837) is 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one is Cc1c(-c2ccccc2)c(=O)nc(C=Cc2ccccc2F)n1-c1ccccc1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one?
The InChIKey is PAVNCRATLOKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O/c1-18-24(20-11-4-2-5-12-20)25(29)27-23(28(18)21-13-6-3-7-14-21)17-16-19-10-8-9-15-22(19)26/h2-17H,1H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one?
2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one has a molecular weight of 382.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethenyl]-6-methyl-1,5-diphenylpyrimidin-4-one is sourced from PubChem (CID 3621837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).