CAS 866137-98-6

2-(Methylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinamine

Description:

2-(Methylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinamine, identified by its CAS number 866137-98-6, is a chemical compound that belongs to the quinazolinamine class. This substance features a quinazoline core, which is a bicyclic structure containing both benzene and pyrimidine rings. The presence of a methylthio group indicates a sulfur atom bonded to a methyl group, which can influence the compound's reactivity and solubility. Additionally, the trifluoromethyl group attached to the phenyl ring enhances the compound's lipophilicity and may affect its biological activity. The overall structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's characteristics, such as its molecular weight, solubility, and stability, would be critical for understanding its behavior in various chemical environments and its potential therapeutic uses. As with many synthetic compounds, safety and handling precautions should be observed due to the presence of fluorinated groups, which can impart unique toxicological properties.

Formula: C₁₇H₁₄F₃N₃S

InChI: InChI=1S/C17H14F3N3S/c1-24-16-22-14-8-3-2-7-13(14)15(23-16)21-10-11-5-4-6-12(9-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,22,23)

InChI key: InChIKey=XEDBOPLMBJANIM-UHFFFAOYSA-N

SMILES: N(CC1=CC(C(F)(F)F)=CC=C1)C=2C3=C(N=C(SC)N2)C=CC=C3

Synonyms:

• 2-(Methylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinamine
• 4-Quinazolinamine, 2-(methylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]-