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Substance Name: 2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-
RN: 121936-22-9
InChIKey: HIBNJZOVXZFUJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N4-O2.Cl-H

Molecular Weight

  • 286.3332
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(3-methoxy-4-allyloxybenzyl)pyrimidine hydrochloride
  • 5-((3-Methoxy-4-(2-propenyloxy)phenyl)methyl)-2,4-pyrimidinediamine

Systematic Name

  • 2,4-Pyrimidinediamine, 5-((3-methoxy-4-(2-propenyloxy)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 121936-22-9

System Generated Number

  • 0121936229

Molecular Formulas

Molecular Formula

  • C15-H18-N4-O2.Cl-H

Molecular Formula Fragments

  • C15-H18-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N4O2/c1-3-6-21-12-5-4-10(8-13(12)20-2)7-11-9-18-15(17)19-14(11)16/h3-5,8-9H,1,6-7H2,2H3,(H4,16,17,18,19)

InChIKey

HIBNJZOVXZFUJA-UHFFFAOYSA-N

Smiles

COc1cc(ccc1OCC=C)Cc2cnc(nc2N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4883798,