CAS 890094-00-5

2-Chloro-N4-cyclohexyl-4,5-pyrimidinediamine

Description:

2-Chloro-N4-cyclohexyl-4,5-pyrimidinediamine is a chemical compound characterized by its pyrimidine ring structure, which is substituted at the 4 and 5 positions with amino groups and a cyclohexyl group at the N4 position. The presence of a chlorine atom at the 2 position contributes to its reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of amino groups, which can engage in hydrogen bonding. Its molecular structure suggests potential biological activity, making it of interest in pharmaceutical research, particularly in the development of therapeutic agents. The compound's properties, such as melting point, boiling point, and specific reactivity, would depend on its purity and the conditions under which it is handled. Safety data sheets should be consulted for handling precautions, as the chlorine substituent may impart certain hazards. Overall, 2-Chloro-N4-cyclohexyl-4,5-pyrimidinediamine represents a unique structure with potential applications in various chemical and biological fields.

Formula: C₁₀H₁₅ClN₄

InChI: InChI=1S/C10H15ClN4/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5,12H2,(H,13,14,15)

InChI key: InChIKey=AMLMGZLKACUGDC-UHFFFAOYSA-N

SMILES: N(C=1C(N)=CN=C(Cl)N1)C2CCCCC2

Synonyms:

• 2-Chloro-N4-cyclohexylpyrimidine-4,5-diamine
• 4,5-Pyrimidinediamine, 2-chloro-N4-cyclohexyl-
• 2-Chloro-N4-cyclohexyl-4,5-pyrimidinediamine