3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one

C22H15FN2O — CID 13280774

IUPAC3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1cccc(F)c1
InChIInChI=1S/C22H15FN2O/c23-18-12-7-13-19(14-18)25-21(26)15-20(16-8-3-1-4-9-16)24-22(25)17-10-5-2-6-11-17/h1-15H
InChIKeyQEWRJTQBCMOIEC-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.71
Rot. Bonds3

About 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one

3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one (PubChem CID 13280774) has the molecular formula C22H15FN2O and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one
PubChem CID13280774
Molecular FormulaC22H15FN2O
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1cccc(F)c1
InChIInChI=1S/C22H15FN2O/c23-18-12-7-13-19(14-18)25-21(26)15-20(16-8-3-1-4-9-16)24-22(25)17-10-5-2-6-11-17/h1-15H
InChIKeyQEWRJTQBCMOIEC-UHFFFAOYSA-N
XLogP4.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one (CID 13280774) is 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one is O=c1cc(-c2ccccc2)nc(-c2ccccc2)n1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one?
The InChIKey is QEWRJTQBCMOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O/c23-18-12-7-13-19(14-18)25-21(26)15-20(16-8-3-1-4-9-16)24-22(25)17-10-5-2-6-11-17/h1-15H.
What are the key properties of 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one?
3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one has a molecular weight of 342.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2,6-diphenylpyrimidin-4-one is sourced from PubChem (CID 13280774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).