1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate

CAS Registry Number®

1323952-12-0
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CAS Name

1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate

Molecular Formula

C13H19ClN4O2

Molecular Mass

298.77

Cite this Page

1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1323952-12-0 (retrieved 2024-08-04) (CAS RN: 1323952-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-105 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3

InChIKey

InChIKey=YLJDBQSKVVKNGY-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CCN(CC1)C=2N=CC(Cl)=CN2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(C2=NC=C(Cl)C=N2)CC1

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-(5-chloro-2-pyrimidinyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(5-chloro-2-pyrimidinyl)-1-piperazinecarboxylate
  • tert-Butyl 4-(5-chloropyrimidin-2-yl)piperazine-1-carboxylate