1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one

C13H11F3N2O — CID 154488064

IUPAC1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESCCn1c(C(F)(F)F)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C13H11F3N2O/c1-2-18-11(13(14,15)16)8-10(17-12(18)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNPTMULRHAAKSES-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.95
Rot. Bonds2

About 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one

1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488064) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488064
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
SMILESCCn1c(C(F)(F)F)cc(-c2ccccc2)nc1=O
InChIInChI=1S/C13H11F3N2O/c1-2-18-11(13(14,15)16)8-10(17-12(18)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNPTMULRHAAKSES-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 746778
6-Methyl-4-phenyl-1H-pyrimidin-2-one
CID 233401
4-[(1E)-2-phenylethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
CID 5768618
2-Oxo-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyrimidine
CID 129738905
1-Methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488042
1-Methyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
CID 154488053
4-(Trifluoromethyl)-6-(4-iodophenyl)-pyrimidin-2(1h)-one
CID 125492218
1-[(E)-2-(4-fluorophenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2-one
CID 178338489
1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)pyrimidin-2-one
CID 178338491
1-[(E)-2-(3,5-difluorophenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2-one
CID 178338492
1-(2-Phenylethynyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 178338494
1,6-Dimethyl-4-phenylpyrimidin-2(1H)-one
CID 71360534

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one (CID 154488064) is 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one is CCn1c(C(F)(F)F)cc(-c2ccccc2)nc1=O.
What is the InChIKey of 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is NPTMULRHAAKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-2-18-11(13(14,15)16)8-10(17-12(18)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one?
1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).