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Substance Name: 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-
RN: 55417-00-0
InChIKey: DFVXCVYZLQRQPG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-Cl-N5-S

Molecular Weight

  • 422.0378
 
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Names and Synonyms

Synonym

  • 2-N-Methyl-N-benzylamino-4-(2'-di-isopropylamino)ethylamino-5-methylthio-6-chloropyrimidine

Systematic Name

  • 2,4-Pyrimidinediamine, N(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-chloro-N(sup 2)-methyl-5-(methylthio)-N(sup 2)-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 55417-00-0

System Generated Number

  • 0055417000

Structure Descriptors

InChI

1S/C21H32ClN5S/c1-15(2)27(16(3)4)13-12-23-20-18(28-6)19(22)24-21(25-20)26(5)14-17-10-8-7-9-11-17/h7-11,15-16H,12-14H2,1-6H3,(H,23,24,25)

InChIKey

DFVXCVYZLQRQPG-UHFFFAOYSA-N

Smiles

CC(C)N(CCNc1c(c(nc(n1)N(C)Cc2ccccc2)Cl)SC)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 60mg/kg (60mg/kg)   United States Patent Document. Vol. #3968214,
mouse LD50 oral 675mg/kg (675mg/kg)   United States Patent Document. Vol. #3968214,