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

C16H11FN2O — CID 13280766

IUPAC3-(3-fluorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1cccc(F)c1
InChIInChI=1S/C16H11FN2O/c17-13-7-4-8-14(11-13)19-15(20)9-10-18-16(19)12-5-2-1-3-6-12/h1-11H
InChIKeyAUHRAMBRCPNSQX-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.04
Rot. Bonds2

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

3-(3-fluorophenyl)-2-phenylpyrimidin-4-one (PubChem CID 13280766) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-phenylpyrimidin-4-one
PubChem CID13280766
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name3-(3-fluorophenyl)-2-phenylpyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1cccc(F)c1
InChIInChI=1S/C16H11FN2O/c17-13-7-4-8-14(11-13)19-15(20)9-10-18-16(19)12-5-2-1-3-6-12/h1-11H
InChIKeyAUHRAMBRCPNSQX-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-(3-fluorophenyl)-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one (CID 13280766) is 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one is O=c1ccnc(-c2ccccc2)n1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one?
The InChIKey is AUHRAMBRCPNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-7-4-8-14(11-13)19-15(20)9-10-18-16(19)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 3-(3-fluorophenyl)-2-phenylpyrimidin-4-one?
3-(3-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-(3-fluorophenyl)-2-phenylpyrimidin-4-one is sourced from PubChem (CID 13280766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).