CAS 1261229-91-7

1,1-Dimethylethyl 2-[[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 2-[[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate, identified by its CAS number 1261229-91-7, is a chemical compound characterized by its complex structure, which includes a pyrimidine ring and a pyrrolidine moiety. This compound features a chloro substituent and a methylthio group, contributing to its unique reactivity and potential biological activity. The presence of the dimethylethyl group suggests steric hindrance, which may influence its interaction with biological targets. Typically, compounds of this nature are investigated for their pharmacological properties, particularly in the context of medicinal chemistry, where they may exhibit activity against specific enzymes or receptors. The molecular structure indicates potential for hydrogen bonding and other intermolecular interactions, which are crucial for its biological efficacy. As with many synthetic organic compounds, understanding its solubility, stability, and reactivity under various conditions is essential for its application in research and development.

Formula: C₁₅H₂₃ClN₄O₂S

InChI: InChI=1S/C15H23ClN4O2S/c1-15(2,3)22-14(21)20-7-5-6-10(20)9-17-12-8-11(16)18-13(19-12)23-4/h8,10H,5-7,9H2,1-4H3,(H,17,18,19)

InChI key: InChIKey=ZHLFISQLYRRURH-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(CNC2=NC(SC)=NC(Cl)=C2)CCC1

Synonyms:

• 1,1-Dimethylethyl 2-[[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]methyl]-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 2-[[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]methyl]-, 1,1-dimethylethyl ester