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Substance Name: 2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-
RN: 20344-69-8
InChIKey: HQXBYBOVCDPXCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N4-O2

Molecular Weight

  • 260.295
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(3,5-dimethoxybenzyl)pyrimidine
  • 5-((3,5-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamine

Systematic Name

  • 2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 20344-69-8

System Generated Number

  • 0020344698

Structure Descriptors

InChI

1S/C13H16N4O2/c1-18-10-4-8(5-11(6-10)19-2)3-9-7-16-13(15)17-12(9)14/h4-7H,3H2,1-2H3,(H4,14,15,16,17)

InChIKey

HQXBYBOVCDPXCB-UHFFFAOYSA-N

Smiles

n1c(N)nc(N)c(Cc2cc(OC)cc(OC)c2)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   United States Patent Document. Vol. #4883798,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.57 (none)   EXP
Water Solubility 946 mg/L 25 EST
Vapor Pressure 5.09E-08 mm Hg 25 EST
Henry's Law Constant 4.03E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.