2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one

C9H11F3N2O — CID 68986585

IUPAC2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCc1nc(C(F)(F)F)c(C)c(=O)n1C
InChIInChI=1S/C9H11F3N2O/c1-4-6-13-7(9(10,11)12)5(2)8(15)14(6)3/h4H2,1-3H3
InChIKeyDHIDBFDKYAILBZ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.67
Rot. Bonds1

About 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one

2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 68986585) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID68986585
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCc1nc(C(F)(F)F)c(C)c(=O)n1C
InChIInChI=1S/C9H11F3N2O/c1-4-6-13-7(9(10,11)12)5(2)8(15)14(6)3/h4H2,1-3H3
InChIKeyDHIDBFDKYAILBZ-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one (CID 68986585) is 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one is CCc1nc(C(F)(F)F)c(C)c(=O)n1C.
What is the InChIKey of 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is DHIDBFDKYAILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-4-6-13-7(9(10,11)12)5(2)8(15)14(6)3/h4H2,1-3H3.
What are the key properties of 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one?
2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 220.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dimethyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 68986585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).