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CAS 939986-77-3

:

1,1-Dimethylethyl 3-[(6-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate

Description:
1,1-Dimethylethyl 3-[(6-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate, identified by its CAS number 939986-77-3, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a pyrimidine moiety. This compound typically exhibits properties associated with both amines and esters, given its functional groups. It is likely to be a solid at room temperature and may have moderate solubility in polar solvents due to the presence of the piperidine and pyrimidine rings, which can engage in hydrogen bonding. The chloro substituent on the pyrimidine ring may influence its reactivity and biological activity, potentially making it a candidate for pharmaceutical applications. Additionally, the dimethyl groups contribute to steric hindrance, which can affect the compound's interaction with biological targets. Overall, this compound's unique structural features suggest potential utility in medicinal chemistry, particularly in the development of targeted therapies.
Formula:C14H21ClN4O2
InChI:InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-5-10(8-19)18-12-7-11(15)16-9-17-12/h7,9-10H,4-6,8H2,1-3H3,(H,16,17,18)
InChI key:InChIKey=BYYSPKHMDVCCQI-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC(NC=2C=C(Cl)N=CN2)CCC1
Synonyms:
  • 1,1-Dimethylethyl 3-[(6-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate
  • 1-Piperidinecarboxylic acid, 3-[(6-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester
  • tert-Butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
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