2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine

C11H6BrF3N2S — CID 141414238

IUPAC2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C11H6BrF3N2S/c12-7-1-3-8(4-2-7)18-10-16-6-5-9(17-10)11(13,14)15/h1-6H
InChIKeyLKFUOTUBUHGDSB-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine

2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine (PubChem CID 141414238) has the molecular formula C11H6BrF3N2S and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
PubChem CID141414238
Molecular FormulaC11H6BrF3N2S
Molecular Weight335.15 g/mol
Exact Mass333.94
IUPAC Name2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Sc2ccc(Br)cc2)n1
InChIInChI=1S/C11H6BrF3N2S/c12-7-1-3-8(4-2-7)18-10-16-6-5-9(17-10)11(13,14)15/h1-6H
InChIKeyLKFUOTUBUHGDSB-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfanyl-4-(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 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine (CID 141414238) is 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Sc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is LKFUOTUBUHGDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2S/c12-7-1-3-8(4-2-7)18-10-16-6-5-9(17-10)11(13,14)15/h1-6H.
What are the key properties of 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine?
2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 335.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).