CAS 339011-20-0

4-[(4-Fluorophenyl)thio]-N-(1-methylethyl)-6-(trifluoromethyl)-2-pyrimidinamine

Description:

4-[(4-Fluorophenyl)thio]-N-(1-methylethyl)-6-(trifluoromethyl)-2-pyrimidinamine, with the CAS number 339011-20-0, is a chemical compound characterized by its complex structure, which includes a pyrimidine ring substituted with various functional groups. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The fluorophenyl thio group contributes to its potential as a pharmacophore, possibly enhancing interactions with biological targets. This compound is likely to exhibit specific solubility and stability characteristics due to its halogenated substituents, which can affect its reactivity and interaction with solvents. Additionally, the isopropyl group (1-methylethyl) may influence its steric properties, potentially impacting its binding affinity in biological systems. Overall, this compound's unique structural features suggest it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. However, detailed studies would be necessary to fully understand its properties and potential uses.

Formula: C₁₄H₁₃F₄N₃S

InChI: InChI=1S/C14H13F4N3S/c1-8(2)19-13-20-11(14(16,17)18)7-12(21-13)22-10-5-3-9(15)4-6-10/h3-8H,1-2H3,(H,19,20,21)

InChI key: InChIKey=XVLOPIYTXQPYOP-UHFFFAOYSA-N

SMILES: S(C=1C=C(C(F)(F)F)N=C(NC(C)C)N1)C2=CC=C(F)C=C2

Synonyms:

• 4-[(4-Fluorophenyl)thio]-N-(1-methylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
• 2-Pyrimidinamine, 4-[(4-fluorophenyl)thio]-N-(1-methylethyl)-6-(trifluoromethyl)-