5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one

C8H9F3N2O — CID 170583066

IUPAC5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
SMILESCCc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-3-5-4-12-7(8(9,10)11)13(2)6(5)14/h4H,3H2,1-2H3
InChIKeyPIEQFFMILMNECO-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.36
Rot. Bonds1

About 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one

5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one (PubChem CID 170583066) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
PubChem CID170583066
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
SMILESCCc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-3-5-4-12-7(8(9,10)11)13(2)6(5)14/h4H,3H2,1-2H3
InChIKeyPIEQFFMILMNECO-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 24903860
3-Methyl-5-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583157
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099444
5-Butan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099631
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
4-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983909
5-Fluoro-3-(2-methylidenebutyl)pyrimidin-4-one
CID 126793836
5-Methyl-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimidin-4-one
CID 126857608
3-Ethyl-5-propan-2-ylpyrimidin-4-one
CID 89409698
5-Ethyl-3-propan-2-ylpyrimidin-4-one
CID 89749441
3,5-Diethylpyrimidin-4-one
CID 89749476

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one (CID 170583066) is 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one is CCc1cnc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is PIEQFFMILMNECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-3-5-4-12-7(8(9,10)11)13(2)6(5)14/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one?
5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 206.17 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 170583066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).