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Substance Name: Pyrimidine, 4-chloro-2-(2-hydroxyethylamino)-6-(4-methylpiperazino)-5-methylthio-
RN: 55921-70-5
InChIKey: RUDQYVYWAGQGNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-Cl-N5-O-S

Molecular Weight

  • 317.843
 
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Names and Synonyms

Synonyms

  • 2-N-(beta-Hydroxyethyl)amino-4-N-methylpiperazino-6-chloro-5-methylthiopyrimidine
  • 4-Chloro-2-(2-hydroxyethylamino)-6-(4-methylpiperazino)-5-methylthiopyrimidine
  • 5-25-12-00572 (Beilstein Handbook Reference)
  • BRN 0680125

Systematic Name

  • Pyrimidine, 4-chloro-2-(2-hydroxyethylamino)-6-(4-methylpiperazino)-5-methylthio-

Registry Numbers

CAS Registry Number

  • 55921-70-5

System Generated Number

  • 0055921705

Structure Descriptors

InChI

1S/C12H20ClN5OS/c1-17-4-6-18(7-5-17)11-9(20-2)10(13)15-12(16-11)14-3-8-19/h19H,3-8H2,1-2H3,(H,14,15,16)

InChIKey

RUDQYVYWAGQGNG-UHFFFAOYSA-N

Smiles

c1(nc(NCCO)nc(c1SC)Cl)N1CCN(CC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 89mg/kg (89mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 553, 1975.