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Substance Name: 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(2,6-dimethyl-4-morpholinyl)ethyl)-N(sup 2)-methyl-5-(methylthio)-
RN: 55417-10-2
InChIKey: PJRFRPFNFSWFBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-Cl2-N5-O-S

Molecular Weight

  • 456.4393
 
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Names and Synonyms

  • 2,4-Pyrimidinediamine, 6-chloro-N(sup 2)-(4-chlorophenyl)-N(sup 4)-(2-(2,6-dimethyl-4-morpholinyl)ethyl)-N(sup 2)-methyl-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 55417-10-2

System Generated Number

  • 0055417102

Structure Descriptors

InChI

1S/C20H27Cl2N5OS/c1-13-11-27(12-14(2)28-13)10-9-23-19-17(29-4)18(22)24-20(25-19)26(3)16-7-5-15(21)6-8-16/h5-8,13-14H,9-12H2,1-4H3,(H,23,24,25)

InChIKey

PJRFRPFNFSWFBB-UHFFFAOYSA-N

Smiles

CC1CN(CC(O1)C)CCNc2c(c(nc(n2)N(C)c3ccc(cc3)Cl)Cl)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   United States Patent Document. Vol. #3968214,