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Substance Name: Uracil, 1,6-dimethyl-3-phenyl-5-(1-pyrrolidinyl)-
RN: 32150-73-5
InChIKey: BIPNRIQANSKZIV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N3-O2

Molecular Weight

  • 285.345
 
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Names and Synonyms

Synonyms

  • 1,6-Dimethyl-3-phenyl-5-pyrrolidinouracil
  • 2,4(1H,3H)-Pyrimidinedione, 1,6-dimethyl-3-phenyl-5-pyrrolidino-
  • 5-25-15-00492 (Beilstein Handbook Reference)
  • BRN 0757446

Systematic Name

  • Uracil, 1,6-dimethyl-3-phenyl-5-(1-pyrrolidinyl)-

Registry Numbers

CAS Registry Number

  • 32150-73-5

System Generated Number

  • 0032150735

Structure Descriptors

InChI

1S/C16H19N3O2/c1-12-14(18-10-6-7-11-18)15(20)19(16(21)17(12)2)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3

InChIKey

BIPNRIQANSKZIV-UHFFFAOYSA-N

Smiles

c1(n(c(c(c(n1C)C)N1CCCC1)=O)c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1460mg/kg (1460mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 471, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.26 (none)   EXP
Water Solubility 175 mg/L 25 EST
Vapor Pressure 1.66E-09 mm Hg 25 EST
Henry's Law Constant 2.47E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-10 cm3/molecule-sec 25 EST

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