CAS 1314354-78-3

1,1-Dimethylethyl (3R)-3-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl (3R)-3-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate, identified by its CAS number 1314354-78-3, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a pyrimidine moiety. This compound features a dimethyl group attached to a carbon atom, contributing to its steric properties and potentially influencing its biological activity. The presence of a chloro group and a methylthio group on the pyrimidine ring suggests that it may exhibit specific reactivity and interactions with biological targets, making it of interest in medicinal chemistry. The (3R) configuration indicates stereochemistry that may be crucial for its pharmacological effects. As with many compounds in this class, it may be investigated for its potential therapeutic applications, particularly in the context of targeting specific enzymes or receptors. Its solubility, stability, and reactivity would depend on various factors, including pH and solvent conditions, which are essential for understanding its behavior in biological systems.

Formula: C₁₄H₂₁ClN₄O₂S

InChI: InChI=1S/C14H21ClN4O2S/c1-14(2,3)21-13(20)19-6-5-9(8-19)16-11-7-10(15)17-12(18-11)22-4/h7,9H,5-6,8H2,1-4H3,(H,16,17,18)/t9-/m1/s1

InChI key: InChIKey=HTJVXKNIEOFJEL-SECBINFHSA-N

SMILES: N(C1=NC(SC)=NC(Cl)=C1)[C@H]2CN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1-Pyrrolidinecarboxylic acid, 3-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl ester, (3R)-
• 1,1-Dimethylethyl (3R)-3-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate