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Substance Name: Pyrimidine, 2,4-diamino-5-((2,6-dimethoxy-3-pyridyl)methyl)-
RN: 65873-69-0
InChIKey: GVQDDKFXRUBBDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N5-O2

Molecular Weight

  • 261.284
 
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Names and Synonyms

Synonyms

  • 2,4-Diamino-5-((2,6-dimethoxy-3-pyridyl)methyl)-pyrimidine
  • 5-26-09-00515 (Beilstein Handbook Reference)
  • BRN 0831181

Systematic Names

  • 2,4-Pyrimidinediamine, 5-((2,6-dimethoxy-3-pyridinyl)methyl)- (9CI)
  • Pyrimidine, 2,4-diamino-5-((2,6-dimethoxy-3-pyridyl)methyl)-

Registry Numbers

CAS Registry Number

  • 65873-69-0

System Generated Number

  • 0065873690

Structure Descriptors

InChI

1S/C12H15N5O2/c1-18-9-4-3-7(11(16-9)19-2)5-8-6-15-12(14)17-10(8)13/h3-4,6H,5H2,1-2H3,(H4,13,14,15,17)

InChIKey

GVQDDKFXRUBBDY-UHFFFAOYSA-N

Smiles

n1c(N)nc(N)c(Cc2c(OC)nc(OC)cc2)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 531, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 393 mg/L 25 EST
Vapor Pressure 3.50E-08 mm Hg 25 EST
Henry's Law Constant 4.39E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.90E-11 cm3/molecule-sec 25 EST

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