Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
RN: 20285-70-5
InChIKey: YMGUVTBVYOGUFZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N4-O

Molecular Weight

  • 230.27
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 2,4-Diamino-5-(4-methoxybenzyl)pyrimidine
  • 5-((4-Methoxyphenyl)methyl)-2,4-pyrimidinediamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20285-70-5

System Generated Number

  • 0020285705

Structure Descriptors

InChI

1S/C12H14N4O/c1-17-10-4-2-8(3-5-10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)

InChIKey

YMGUVTBVYOGUFZ-UHFFFAOYSA-N

Smiles

n1c(N)nc(N)c(Cc2ccc(OC)cc2)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   United States Patent Document. Vol. #4883798,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.34 (none)   EXP
Water Solubility 2180 mg/L 25 EST
Vapor Pressure 2.58E-07 mm Hg 25 EST
Henry's Law Constant 6.82E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.95E-11 cm3/molecule-sec 25 EST

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