2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one

C17H11F3N2O — CID 3021393

IUPAC2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(22)12-5-2-1-3-6-12/h1-11H
InChIKeyUTWGIWKDIZEVIX-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.92
Rot. Bonds2

About 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one

2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 3021393) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID3021393
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESO=c1ccnc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(22)12-5-2-1-3-6-12/h1-11H
InChIKeyUTWGIWKDIZEVIX-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 3021393) is 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is O=c1ccnc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is UTWGIWKDIZEVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)13-7-4-8-14(11-13)22-15(23)9-10-21-16(22)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 316.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 3021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).