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Substance Name: Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
RN: 55687-57-5
InChIKey: LPLBKXARLUPNDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N5-O3

Molecular Weight

  • 303.32
 
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Names and Synonyms

Synonyms

  • 4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzamide
  • 5-25-17-00185 (Beilstein Handbook Reference)
  • BRN 0897517

Systematic Name

  • Benzamide, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-

Registry Numbers

CAS Registry Number

  • 55687-57-5

System Generated Number

  • 0055687575

Structure Descriptors

InChI

1S/C14H17N5O3/c1-21-9-4-7(5-10(22-2)11(9)13(16)20)3-8-6-18-14(17)19-12(8)15/h4-6H,3H2,1-2H3,(H2,16,20)(H4,15,17,18,19)

InChIKey

LPLBKXARLUPNDA-UHFFFAOYSA-N

Smiles

n1c(N)nc(N)c(Cc2cc(OC)c(C(=O)N)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) -0.85 (none)   EXP
Water Solubility 3060 mg/L 25 EST
Vapor Pressure 1.97E-11 mm Hg 25 EST
Henry's Law Constant 1.66E-19 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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