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Substance Name: 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
RN: 80267-19-2
InChIKey: CBVOSPUWDDLWCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N4-O2

Molecular Weight

  • 302.3758
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(3-methoxy-4-n-butoxybenzyl)pyrimidine
  • 5-((4-Butoxy-3-methoxyphenyl)methyl)-2,4-pyrimidinediamine

Systematic Name

  • 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 80267-19-2

System Generated Number

  • 0080267192

Structure Descriptors

InChI

1S/C16H22N4O2/c1-3-4-7-22-13-6-5-11(9-14(13)21-2)8-12-10-19-16(18)20-15(12)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H4,17,18,19,20)

InChIKey

CBVOSPUWDDLWCK-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(cc1OC)Cc2cnc(nc2N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4883798,