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CAS 1365936-98-6

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1,1-Dimethylethyl (3S)-3-[[6-(trifluoromethyl)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate

Description:
1,1-Dimethylethyl (3S)-3-[[6-(trifluoromethyl)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate, identified by its CAS number 1365936-98-6, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and a pyrimidine moiety. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is typically classified as a pharmaceutical intermediate or a potential drug candidate, often investigated for its efficacy in various therapeutic applications. Its stereochemistry, indicated by the (3S) designation, suggests specific spatial arrangements that can significantly affect its interaction with biological targets. The dimethyl group contributes to steric hindrance, which can modulate the compound's reactivity and binding properties. Overall, this compound's unique structural features and functional groups make it a subject of interest in medicinal chemistry and drug development, particularly in the context of targeting specific biological pathways or receptors.
Formula:C14H19F3N4O2
InChI:InChI=1S/C14H19F3N4O2/c1-13(2,3)23-12(22)21-5-4-9(7-21)20-11-6-10(14(15,16)17)18-8-19-11/h6,8-9H,4-5,7H2,1-3H3,(H,18,19,20)/t9-/m0/s1
InChI key:InChIKey=MSBAXBZLUNTYGS-VIFPVBQESA-N
SMILES:N([C@@H]1CN(C(OC(C)(C)C)=O)CC1)C=2C=C(C(F)(F)F)N=CN2
Synonyms:
  • 1,1-Dimethylethyl (3S)-3-[[6-(trifluoromethyl)-4-pyrimidinyl]amino]-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 3-[[6-(trifluoromethyl)-4-pyrimidinyl]amino]-, 1,1-dimethylethyl ester, (3S)-
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