6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one

C17H13FN2O — CID 71092126

IUPAC6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2CF)[nH]1
InChIInChI=1S/C17H13FN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21)
InChIKeyFTVRPDDTYWZJOK-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.57
Rot. Bonds3

About 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one

6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one (PubChem CID 71092126) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
PubChem CID71092126
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2CF)[nH]1
InChIInChI=1S/C17H13FN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21)
InChIKeyFTVRPDDTYWZJOK-UHFFFAOYSA-N
XLogP3.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one (CID 71092126) is 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccccc2CF)[nH]1.
What is the InChIKey of 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is FTVRPDDTYWZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21).
What are the key properties of 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 280.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 71092126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).