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Substance Name: Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-
RN: 55477-20-8
InChIKey: JXKQVGCVDCOCJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-Cl-N5-S

Molecular Weight

  • 329.898
 
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Names and Synonyms

Synonyms

  • 2-tert-Butylamino-4-N-methylpiperazino-5-methylthio-6-chloro-pyrimidine
  • 4-Chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthiopyrimidine
  • 5-25-12-00572 (Beilstein Handbook Reference)
  • BRN 0889233

Systematic Name

  • Pyrimidine, 4-chloro-2-(tert-butylamino)-6-(4-methylpiperazino)-5-methylthio-

Registry Numbers

CAS Registry Number

  • 55477-20-8

System Generated Number

  • 0055477208

Structure Descriptors

InChI

1S/C14H24ClN5S/c1-14(2,3)18-13-16-11(15)10(21-5)12(17-13)20-8-6-19(4)7-9-20/h6-9H2,1-5H3,(H,16,17,18)

InChIKey

JXKQVGCVDCOCJA-UHFFFAOYSA-N

Smiles

c1(nc(NC(C)(C)C)nc(c1SC)Cl)N1CCN(CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 67mg/kg (67mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.