CAS 1261230-50-5

trans-4-[[6-Chloro-2-(methylthio)-4-pyrimidinyl]amino]cyclohexanol

Description:

Trans-4-[[6-Chloro-2-(methylthio)-4-pyrimidinyl]amino]cyclohexanol is a chemical compound characterized by its unique structural features, which include a cyclohexanol moiety and a pyrimidine ring substituted with a chlorine atom and a methylthio group. This compound is classified as an amino alcohol, indicating the presence of both an amino group and a hydroxyl group in its structure. The trans configuration suggests that specific substituents are oriented in opposite directions around the cyclohexane ring, which can influence its biological activity and interaction with other molecules. The presence of the chlorinated pyrimidine derivative may contribute to its potential pharmacological properties, making it of interest in medicinal chemistry. Additionally, the methylthio group can enhance lipophilicity, affecting the compound's solubility and permeability. Overall, the combination of these functional groups and structural characteristics may impart specific reactivity and biological activity, warranting further investigation in drug development and therapeutic applications.

Formula: C₁₁H₁₆ClN₃OS

InChI: InChI=1/C11H16ClN3OS/c1-17-11-14-9(12)6-10(15-11)13-7-2-4-8(16)5-3-7/h6-8,16H,2-5H2,1H3,(H,13,14,15)/t7-,8-

InChI key: InChIKey=DMCKOTJHGWJMGH-ZKCHVHJHNA-N

SMILES: N(C1=NC(SC)=NC(Cl)=C1)[C@@H]2CC[C@@H](O)CC2

Synonyms:

• Cyclohexanol, 4-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-, trans-
• trans-4-[[6-Chloro-2-(methylthio)-4-pyrimidinyl]amino]cyclohexanol