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

C13H10F4N2O — CID 154488051

IUPAC1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one
SMILESCCn1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C13H10F4N2O/c1-2-19-10(8-3-5-9(14)6-4-8)7-11(13(15,16)17)18-12(19)20/h3-7H,2H2,1H3
InChIKeyOUNTUHYEYYGJIN-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.09
Rot. Bonds2

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

1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488051) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488051
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one
SMILESCCn1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C13H10F4N2O/c1-2-19-10(8-3-5-9(14)6-4-8)7-11(13(15,16)17)18-12(19)20/h3-7H,2H2,1H3
InChIKeyOUNTUHYEYYGJIN-UHFFFAOYSA-N
XLogP3.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4,6-diphenyl-2(1H)-pyrimidinone
CID 576570
Benhepazone
CID 9689
4,6-diphenyl-1-propyl-2(1H)-pyrimidinone
CID 848854
1-allyl-4,6-diphenyl-2(1H)-pyrimidinone
CID 848830
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,5-dimethyl-7-phenyl-, hydrochloride, hemihydrate
CID 3054113
1-(2-chloro-6-fluorobenzyl)-4,6-dimethylpyrimidin-2(1H)-one
CID 1711508
1-Benzylpyrimidin-2-one
CID 295903
1-Benzyl-5-fluoropyrimid-2-one
CID 13616337
1-Methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
CID 154488042
1-Methyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
CID 154488053
1-Ethyl-4-phenyl-6-(trifluoromethyl)pyrimidin-2-one
CID 154488064
1,4-Dimethyl-6-phenylpyrimidin-2(1H)-one
CID 12596967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one (CID 154488051) is 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one is CCn1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1=O.
What is the InChIKey of 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is OUNTUHYEYYGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-2-19-10(8-3-5-9(14)6-4-8)7-11(13(15,16)17)18-12(19)20/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one?
1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 286.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(4-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).