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Substance Name: 4-Pyrimidinamine, 5-bromo-6-chloro-N-(1-methylethyl)-2-(4-methyl-1-piperazinyl)-, monohydrochloride, hydrate
RN: 61973-50-0
InChIKey: UOKGGZCXHXHCHL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-Br-Cl-N5.Cl-H.H2-O

Molecular Weight

  • 385.135
 
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Names and Synonyms

Synonym

  • 2-(N-Methylpiperazinyl)-4-isopropylamino-5-bromo-6-chloropyrimidine hydrochloride hydrate

Systematic Name

  • 4-Pyrimidinamine, 5-bromo-6-chloro-N-(1-methylethyl)-2-(4-methyl-1-piperazinyl)-, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 61973-50-0

System Generated Number

  • 0061973500

Molecular Formulas

Molecular Formula

  • C12-H19-Br-Cl-N5.Cl-H.H2-O

Molecular Formula Fragments

  • C12-H19-Br-Cl-N5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H19BrClN5.ClH/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19;/h8H,4-7H2,1-3H3,(H,15,16,17);1H

InChIKey

UOKGGZCXHXHCHL-UHFFFAOYSA-N

Smiles

CC(C)Nc1c(c(nc(n1)N2CCN(CC2)C)Cl)Br.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 83mg/kg (83mg/kg)   United States Patent Document. Vol. #4051244,
mouse LD50 oral 675mg/kg (675mg/kg)   United States Patent Document. Vol. #4051244,