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Substance Name: 2-Pyrimidinamine, 4-chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
RN: 59717-62-3
InChIKey: CXYLMTHFPIHKDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-Cl-N5-S

Molecular Weight

  • 357.9512
 
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Names and Synonyms

Synonyms

  • 2-n-Hexylamino-4-N-methylpiperazino-6-chloro-5-methylthiopyrimidine
  • 4-Chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine

Systematic Name

  • 2-Pyrimidinamine, 4-chloro-N-hexyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 59717-62-3

System Generated Number

  • 0059717623

Structure Descriptors

InChI

1S/C16H28ClN5S/c1-4-5-6-7-8-18-16-19-14(17)13(23-3)15(20-16)22-11-9-21(2)10-12-22/h4-12H2,1-3H3,(H,18,19,20)

InChIKey

CXYLMTHFPIHKDD-UHFFFAOYSA-N

Smiles

CCCCCCNc1nc(c(c(n1)Cl)SC)N2CCN(CC2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   United States Patent Document. Vol. #4166852,
mouse LD50 oral > 900mg/kg (900mg/kg)   United States Patent Document. Vol. #4166852,