3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one

C17H13FN2O — CID 3071129

IUPAC3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1F
InChIInChI=1S/C17H13FN2O/c1-12-19-15(13-7-3-2-4-8-13)11-17(21)20(12)16-10-6-5-9-14(16)18/h2-11H,1H3
InChIKeyICRPHHZFKOHMOK-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.35
Rot. Bonds2

About 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one

3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one (PubChem CID 3071129) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one
PubChem CID3071129
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1F
InChIInChI=1S/C17H13FN2O/c1-12-19-15(13-7-3-2-4-8-13)11-17(21)20(12)16-10-6-5-9-14(16)18/h2-11H,1H3
InChIKeyICRPHHZFKOHMOK-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one (CID 3071129) is 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The InChIKey is ICRPHHZFKOHMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12-19-15(13-7-3-2-4-8-13)11-17(21)20(12)16-10-6-5-9-14(16)18/h2-11H,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one has a molecular weight of 280.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 3071129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).