CAS 1261232-47-6

1,1-Dimethylethyl 4-[[(4-chloro-5-methyl-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-[[(4-chloro-5-methyl-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylate, identified by its CAS number 1261232-47-6, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a pyrimidine moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its biological activity and solubility. The presence of a chloro substituent on the pyrimidine ring may enhance its reactivity and interaction with biological targets. The amino group linked to the pyrimidine suggests potential for hydrogen bonding, which is crucial in drug design for binding to specific receptors or enzymes. Additionally, the carboxylate functional group can participate in various chemical reactions, including esterification and salt formation. Overall, this compound's unique structural features may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₁₆H₂₅ClN₄O₂

InChI: InChI=1S/C16H25ClN4O2/c1-11-9-18-14(20-13(11)17)19-10-12-5-7-21(8-6-12)15(22)23-16(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,18,19,20)

InChI key: InChIKey=NLTOTGQGZGSZAL-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CCC(CNC=2N=C(Cl)C(C)=CN2)CC1

Synonyms:

• 1,1-Dimethylethyl 4-[[(4-chloro-5-methyl-2-pyrimidinyl)amino]methyl]-1-piperidinecarboxylate
• 4-[(4-Chloro-5-methyl-pyrimidin-2-ylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
• 1-Piperidinecarboxylic acid, 4-[[(4-chloro-5-methyl-2-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester