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Substance Name: 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-
RN: 55687-86-0
InChIKey: SFSQZPZBQINRSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-N4-O3

Molecular Weight

  • 304.348
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(3,5-dimethoxy-4-(methoxymethyl)benzyl)pyrimidine
  • 5-((3,5-Dimethoxy-4-(methoxymethyl)phenyl)methyl)-2,4-pyrimidinediamine
  • 5-25-13-00439 (Beilstein Handbook Reference)
  • BRN 0697193

Systematic Name

  • 2,4-Pyrimidinediamine, 5-((3,5-dimethoxy-4-(methoxymethyl)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 55687-86-0

System Generated Number

  • 0055687860

Structure Descriptors

InChI

1S/C15H20N4O3/c1-20-8-11-12(21-2)5-9(6-13(11)22-3)4-10-7-18-15(17)19-14(10)16/h5-7H,4,8H2,1-3H3,(H4,16,17,18,19)

InChIKey

SFSQZPZBQINRSC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 17, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.19 (none)   EXP
Water Solubility 1120 mg/L 25 EST
Vapor Pressure 4.39E-09 mm Hg 25 EST
Henry's Law Constant 5.21E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

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