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

C16H11FN2O — CID 3021388

IUPAC3-(2-fluorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C16H11FN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKeyFMPNYHFDJWREKH-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.04
Rot. Bonds2

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

3-(2-fluorophenyl)-2-phenylpyrimidin-4-one (PubChem CID 3021388) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-phenylpyrimidin-4-one
PubChem CID3021388
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name3-(2-fluorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1ccccc1F
InChIInChI=1S/C16H11FN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H
InChIKeyFMPNYHFDJWREKH-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.04
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-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one (CID 3021388) is 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one is O=c1ccnc(-c2ccccc2)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one?
The InChIKey is FMPNYHFDJWREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-8-4-5-9-14(13)19-15(20)10-11-18-16(19)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-fluorophenyl)-2-phenylpyrimidin-4-one?
3-(2-fluorophenyl)-2-phenylpyrimidin-4-one has a molecular weight of 266.28 g/mol, XLogP of 3.04, 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-phenylpyrimidin-4-one is sourced from PubChem (CID 3021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).