CAS 945895-44-3

1,1-Dimethylethyl 3-[(2-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 3-[(2-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate, identified by its CAS number 945895-44-3, is a chemical compound that features a piperidine ring, which is a six-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a dimethyl group attached to a carbon atom, contributing to its steric bulk. The inclusion of a chloro-substituted pyrimidine moiety indicates potential biological activity, as pyrimidines are often found in pharmaceuticals and agrochemicals. The carboxylate functional group suggests that the compound may exhibit acidic properties, influencing its solubility and reactivity. Additionally, the presence of the amino group linked to the pyrimidine ring may enhance its interaction with biological targets, making it of interest in medicinal chemistry. Overall, this compound's unique structural features may contribute to its potential applications in drug development or as a biochemical tool.

Formula: C₁₄H₂₁ClN₄O₂

InChI: InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-8-4-5-10(9-19)17-11-6-7-16-12(15)18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,18)

InChI key: InChIKey=XEXLWJLNAAYBLU-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(NC2=NC(Cl)=NC=C2)CCC1

Synonyms:

• 1-Piperidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-[(2-chloro-4-pyrimidinyl)amino]-1-piperidinecarboxylate

tert-Butyl 3-[(2-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

CAS: 945895-44-3

Versatile small molecule scaffold

Formula: C₁₄H₂₁ClN₄O₂

Purity: Min. 95%

Molecular weight: 312.79 g/mol

Ref: 3D-VMB89544