6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one

C16H11FN2O — CID 16660660

IUPAC6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H11FN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyIRSUAZFPLYNYHN-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.24
Rot. Bonds2

About 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one

6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 16660660) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID16660660
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H11FN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
InChIKeyIRSUAZFPLYNYHN-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one (CID 16660660) is 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is IRSUAZFPLYNYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-8-6-12(7-9-13)15-10-14(18-16(20)19-15)11-4-2-1-3-5-11/h1-10H,(H,18,19,20).
What are the key properties of 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one?
6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 266.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 16660660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).