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

C17H11F3N2O — CID 20626317

IUPAC4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-9-5-4-8-12(13)15-10-14(21-16(23)22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22,23)
InChIKeyPMSCEVPASPMLBF-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.12
Rot. Bonds2

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

4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one (PubChem CID 20626317) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
PubChem CID20626317
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)[nH]1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)13-9-5-4-8-12(13)15-10-14(21-16(23)22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22,23)
InChIKeyPMSCEVPASPMLBF-UHFFFAOYSA-N
XLogP4.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one (CID 20626317) is 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccccc2C(F)(F)F)[nH]1.
What is the InChIKey of 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is PMSCEVPASPMLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)13-9-5-4-8-12(13)15-10-14(21-16(23)22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22,23).
What are the key properties of 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 316.28 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 20626317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).