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Substance Name: 2-Pyrimidinamine, 4-chloro-N-(4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-5-(methylthio)-
RN: 59717-68-9
InChIKey: GLMUUBRYXYZVSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-Cl-N5-O-S

Molecular Weight

  • 379.9138
 
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Names and Synonyms

Synonyms

  • 4'-Methoxy-2-phenylamino-4-methylpiperazino-6-chloro-5-methylthiopyrimidine
  • 4-Chloro-N-(4-methoxyphenyl)-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59717-68-9

System Generated Number

  • 0059717689

Structure Descriptors

InChI

1S/C17H22ClN5OS/c1-22-8-10-23(11-9-22)16-14(25-3)15(18)20-17(21-16)19-12-4-6-13(24-2)7-5-12/h4-7H,8-11H2,1-3H3,(H,19,20,21)

InChIKey

GLMUUBRYXYZVSZ-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)c2c(c(nc(n2)Nc3ccc(cc3)OC)Cl)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 83mg/kg (83mg/kg)   United States Patent Document. Vol. #4166852,
mouse LD50 oral 495mg/kg (495mg/kg)   United States Patent Document. Vol. #4166852,