CAS 1261229-52-0

1-(1,1-Dimethylethyl) 4-(2-chloro-4-pyrimidinyl)-1,3-piperazinedicarboxylate

Description:

1-(1,1-Dimethylethyl) 4-(2-chloro-4-pyrimidinyl)-1,3-piperazinedicarboxylate, with the CAS number 1261229-52-0, is a chemical compound characterized by its complex structure, which includes a piperazine ring substituted with both a dimethyl group and a pyrimidine moiety. This compound typically exhibits properties associated with piperazine derivatives, such as potential biological activity, which may include interactions with various receptors or enzymes. The presence of the chloro group on the pyrimidine ring can influence its reactivity and solubility, while the carboxylate groups may enhance its ability to form salts or interact with biological systems. The compound's molecular structure suggests it may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific pathways. Its stability, solubility, and reactivity would depend on the specific conditions, such as pH and solvent, making it essential to consider these factors in practical applications. Overall, this compound represents a class of substances that may have significant implications in drug discovery and development.

Formula: C₁₄H₁₉ClN₄O₄

InChI: InChI=1S/C14H19ClN4O4/c1-14(2,3)23-13(22)18-6-7-19(9(8-18)11(20)21)10-4-5-16-12(15)17-10/h4-5,9H,6-8H2,1-3H3,(H,20,21)

InChI key: InChIKey=MBAXXDAWQXLQIM-UHFFFAOYSA-N

SMILES: C(O)(=O)C1N(CCN(C(OC(C)(C)C)=O)C1)C2=NC(Cl)=NC=C2

Synonyms:

• 1,3-Piperazinedicarboxylic acid, 4-(2-chloro-4-pyrimidinyl)-, 1-(1,1-dimethylethyl) ester
• 1-(1,1-Dimethylethyl) 4-(2-chloro-4-pyrimidinyl)-1,3-piperazinedicarboxylate