CAS 1261235-35-1

1,1-Dimethylethyl 2-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 2-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 1261235-35-1, is a chemical compound characterized by its complex structure, which includes a pyrimidine ring and a pyrrolidine moiety. This compound features a dimethyl group attached to a tert-butyl group, contributing to its steric bulk and potentially influencing its reactivity and solubility. The presence of a methylthio group enhances its chemical properties, possibly affecting its biological activity. The carboxylate functional group suggests that it may participate in various chemical reactions, including esterification and amidation. This compound may exhibit specific pharmacological properties, making it of interest in medicinal chemistry. Its molecular interactions could be significant in drug design, particularly in targeting specific biological pathways. Overall, the unique combination of functional groups and structural features makes this compound a subject of interest for further research in both synthetic and applied chemistry contexts.

Formula: C₁₅H₂₄N₄O₂S

InChI: InChI=1S/C15H24N4O2S/c1-15(2,3)21-14(20)19-9-5-6-11(19)10-17-12-7-8-16-13(18-12)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,17,18)

InChI key: InChIKey=KQJZMRDNQNKIHZ-UHFFFAOYSA-N

SMILES: C(NC1=NC(SC)=NC=C1)C2N(C(OC(C)(C)C)=O)CCC2

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 2-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-[[[2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate