2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one

C17H11F3N2O — CID 59120436

IUPAC2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-11-15(23)22(13-9-5-2-6-10-13)16(21-14)12-7-3-1-4-8-12/h1-11H
InChIKeySXDHOZJPILDUEJ-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.92
Rot. Bonds2

About 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one

2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 59120436) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID59120436
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-11-15(23)22(13-9-5-2-6-10-13)16(21-14)12-7-3-1-4-8-12/h1-11H
InChIKeySXDHOZJPILDUEJ-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 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one (CID 59120436) is 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)nc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is SXDHOZJPILDUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-11-15(23)22(13-9-5-2-6-10-13)16(21-14)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one?
2,3-diphenyl-6-(trifluoromethyl)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 2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 59120436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).