3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one

C8H9F3N2OS — CID 18549213

IUPAC3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCn1c(SC)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H9F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h4H,3H2,1-2H3
InChIKeyUPKYUIAOHFJJJL-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.00
Rot. Bonds2

About 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one

3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 18549213) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID18549213
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCn1c(SC)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H9F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h4H,3H2,1-2H3
InChIKeyUPKYUIAOHFJJJL-UHFFFAOYSA-N
XLogP2.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (CID 18549213) is 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is CCn1c(SC)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is UPKYUIAOHFJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 238.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 18549213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).