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

C8H7F3N2OS — CID 139907687

IUPAC3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(SC)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H7F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h3-4H,1H2,2H3
InChIKeyOULFGGPWBGJSMX-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.08
Rot. Bonds2

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

3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 139907687) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID139907687
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC Name3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(SC)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C8H7F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h3-4H,1H2,2H3
InChIKeyOULFGGPWBGJSMX-UHFFFAOYSA-N
XLogP2.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethenyl-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-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one (CID 139907687) is 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is C=Cn1c(SC)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is OULFGGPWBGJSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c1-3-13-6(14)4-5(8(9,10)11)12-7(13)15-2/h3-4H,1H2,2H3.
What are the key properties of 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one?
3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 236.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 139907687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).