CAS 1289585-47-2

1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)amino]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)amino]-1-pyrrolidinecarboxylate, with CAS number 1289585-47-2, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a pyrimidine moiety. The presence of the dimethyl group contributes to its steric bulk, influencing its reactivity and interaction with biological targets. The chloro substituent on the pyrimidine ring enhances its potential for hydrogen bonding and may affect its solubility and lipophilicity. This compound is likely to exhibit specific pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its stereochemistry, indicated by the (3R) configuration, suggests that it may have distinct biological activity compared to its stereoisomers. Overall, the combination of functional groups and structural features positions this compound as a candidate for further investigation in drug discovery and development.

Formula: C₁₃H₁₉ClN₄O₂

InChI: InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-7-5-9(8-18)16-10-4-6-15-11(14)17-10/h4,6,9H,5,7-8H2,1-3H3,(H,15,16,17)/t9-/m1/s1

InChI key: InChIKey=ZFLIRYBGAJOOPR-SECBINFHSA-N

SMILES: C(OC(C)(C)C)(=O)N1C[C@H](NC2=NC(Cl)=NC=C2)CC1

Synonyms:

• 1,1-Dimethylethyl (3R)-3-[(2-chloro-4-pyrimidinyl)amino]-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-