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Substance Name: 2-Pyrimidinamine, 4-chloro-N-methyl-5-(methylthio)-6-(4-phenyl-1-piperazinyl)-
RN: 55477-25-3
InChIKey: JRQSOPGYSIRELU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-Cl-N5-S

Molecular Weight

  • 349.888
 
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Names and Synonyms

Synonyms

  • 4-Chloro-N-methyl-5-(methylthio)-6-(4-phenyl-1-piperazinyl)-2-pyrimidinamine
  • 4-N-Phenylpiperazino-2-methylamino-6-chloro-5-methylthio-pyrimidine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55477-25-3

System Generated Number

  • 0055477253

Structure Descriptors

InChI

1S/C16H20ClN5S/c1-18-16-19-14(17)13(23-2)15(20-16)22-10-8-21(9-11-22)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,19,20)

InChIKey

JRQSOPGYSIRELU-UHFFFAOYSA-N

Smiles

CNc1nc(c(c(n1)Cl)SC)N2CCN(CC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.