trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane

C10H15F3N2S — CID 91169922

IUPACtrimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)(C)C
InChIInChI=1S/C10H15F3N2S/c1-7(16(2,3)4)8-5-14-9(15-6-8)10(11,12)13/h5-7H,1-4H3
InChIKeySOCXRGXSPXEVKN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.25
Rot. Bonds2

About trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane

trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane (PubChem CID 91169922) has the molecular formula C10H15F3N2S and a molecular weight of 252.31 g/mol. Its IUPAC name is trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane
PubChem CID91169922
Molecular FormulaC10H15F3N2S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Nametrimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane
SMILESCC(c1cnc(C(F)(F)F)nc1)S(C)(C)C
InChIInChI=1S/C10H15F3N2S/c1-7(16(2,3)4)8-5-14-9(15-6-8)10(11,12)13/h5-7H,1-4H3
InChIKeySOCXRGXSPXEVKN-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane 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 trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane?
The IUPAC name of trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane (CID 91169922) is trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane is CC(c1cnc(C(F)(F)F)nc1)S(C)(C)C.
What is the InChIKey of trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane?
The InChIKey is SOCXRGXSPXEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-7(16(2,3)4)8-5-14-9(15-6-8)10(11,12)13/h5-7H,1-4H3.
What are the key properties of trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane?
trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane has a molecular weight of 252.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-λ4-sulfane is sourced from PubChem (CID 91169922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).