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Substance Name: 2,4-Pyrimidinediamine, 5-(3-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)propoxy)-6-methyl-, monohydrochloride
RN: 83402-97-5
InChIKey: RUMUFGOFNCESLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-Cl-N4-O2.Cl-H

Molecular Weight

  • 421.326
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(3-(4-(4-chlorophenyl)phenoxy)propoxy)-6-methylpyrimidine monohydrochloride
  • EINECS 280-444-1
  • M and B 35769
  • MB 35769

Systematic Names

  • 2,4-Pyrimidinediamine, 5-(3-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)propoxy)-6-methyl-, monohydrochloride
  • 5-(3-((4'-Chloro(1,1'-biphenyl)-4-yl)oxy)propoxy)-6-methylpyrimidine-2,4-diamine hydrochloride

Registry Numbers

CAS Registry Number

  • 83402-97-5

System Generated Number

  • 0083402975

Molecular Formulas

Molecular Formula

  • C20-H21-Cl-N4-O2.Cl-H

Molecular Formula Fragments

  • C20-H21-Cl-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21ClN4O2.ClH/c1-13-18(19(22)25-20(23)24-13)27-12-2-11-26-17-9-5-15(6-10-17)14-3-7-16(21)8-4-14;/h3-10H,2,11-12H2,1H3,(H4,22,23,24,25);1H

InChIKey

RUMUFGOFNCESLK-UHFFFAOYSA-N

Smiles

c1(nc(c(c(n1)C)OCCCOc1ccc(cc1)c1ccc(cc1)Cl)N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4374136,