CAS 1142212-07-4

3,4-Dihydro-4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]-2(1H)-pyrimidinethione

Description:

3,4-Dihydro-4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]-2(1H)-pyrimidinethione is a chemical compound characterized by its unique structure, which includes a pyrimidinethione core. This compound features a dihydro-pyrimidine ring, indicating it has a saturated structure with potential for various chemical interactions. The presence of a trifluoromethyl group on the phenyl ring enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The dimethyl groups contribute to steric hindrance, which can affect the compound's reactivity and binding properties. Additionally, the thione functional group suggests potential for tautomerism, where it can exist in equilibrium with its corresponding thiol form. This compound may exhibit interesting pharmacological properties, potentially acting as an inhibitor or modulator in biological systems. Its specific applications and behavior would depend on further studies, including its solubility, stability, and interaction with biological targets. Overall, this compound represents a complex structure with potential utility in various chemical and pharmaceutical contexts.

Formula: C₁₃H₁₃F₃N₂S

InChI: InChI=1S/C13H13F3N2S/c1-12(2)7-8-18(11(19)17-12)10-6-4-3-5-9(10)13(14,15)16/h3-8H,1-2H3,(H,17,19)

InChI key: InChIKey=OCTLZGMVPVEHRJ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(C=CC=C1)N2C(=S)NC(C)(C)C=C2

Synonyms:

• 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]-
• 3,4-Dihydro-4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]-2(1H)-pyrimidinethione