CAS 94828-52-1

N-(4,6-Dimethyl-2-pyrimidinyl)-N′-[3-(trifluoromethyl)phenyl]guanidine

Description:

N-(4,6-Dimethyl-2-pyrimidinyl)-N′-[3-(trifluoromethyl)phenyl]guanidine, with the CAS number 94828-52-1, is a chemical compound characterized by its unique structural features that include a guanidine core substituted with a pyrimidine and a trifluoromethylphenyl group. This compound typically exhibits properties associated with guanidine derivatives, such as potential biological activity and solubility in various organic solvents. The presence of the trifluoromethyl group often enhances lipophilicity and can influence the compound's interaction with biological targets. Additionally, the dimethyl substitution on the pyrimidine ring may affect the compound's electronic properties and steric hindrance, which can be crucial for its reactivity and binding affinity in pharmacological contexts. Overall, this compound may be of interest in medicinal chemistry and drug development, particularly for its potential applications in targeting specific biological pathways or receptors. However, detailed studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₄H₁₄F₃N₅

InChI: InChI=1S/C14H14F3N5/c1-8-6-9(2)20-13(19-8)22-12(18)21-11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H3,18,19,20,21,22)

InChI key: InChIKey=XSCWWXRTVRDOFC-UHFFFAOYSA-N

SMILES: N(C(NC1=CC(C(F)(F)F)=CC=C1)=N)C=2N=C(C)C=C(C)N2

Synonyms:

• 2-(4,6-Dimethylpyrimidin-2-yl)-1-[3-(trifluoromethyl)phenyl]guanidine
• Guanidine, N-(4,6-dimethyl-2-pyrimidinyl)-N′-[3-(trifluoromethyl)phenyl]-
• N-(4,6-Dimethyl-2-pyrimidinyl)-N′-[3-(trifluoromethyl)phenyl]guanidine