4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine

C8H8ClF3N2S — CID 106768682

IUPAC4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2S/c1-4(2)15-6-3-5(9)13-7(14-6)8(10,11)12/h3-4H,1-2H3
InChIKeyZGLHCNCRQOSIFW-UHFFFAOYSA-N
MW256.68 g/mol
LogP3.65
Rot. Bonds2

About 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine

4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine (PubChem CID 106768682) has the molecular formula C8H8ClF3N2S and a molecular weight of 256.68 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine
PubChem CID106768682
Molecular FormulaC8H8ClF3N2S
Molecular Weight256.68 g/mol
Exact Mass256.00
IUPAC Name4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2S/c1-4(2)15-6-3-5(9)13-7(14-6)8(10,11)12/h3-4H,1-2H3
InChIKeyZGLHCNCRQOSIFW-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine 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 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine (CID 106768682) is 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine is CC(C)Sc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZGLHCNCRQOSIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2S/c1-4(2)15-6-3-5(9)13-7(14-6)8(10,11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine?
4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 256.68 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).