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

C8H9F3N2O — CID 68986103

IUPAC2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc(C)n(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14/h1-3H3
InChIKeyZJMUQTZBAHAUDB-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.42
Rot. Bonds

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

2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 68986103) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID68986103
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc(C)n(C)c1=O
InChIInChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14/h1-3H3
InChIKeyZJMUQTZBAHAUDB-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one (CID 68986103) is 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one is Cc1c(C(F)(F)F)nc(C)n(C)c1=O.
What is the InChIKey of 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is ZJMUQTZBAHAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6(8(9,10)11)12-5(2)13(3)7(4)14/h1-3H3.
What are the key properties of 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one?
2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 206.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 68986103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).