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Substance Name: 2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
RN: 21316-30-3
UNII: Z6QS1AG93Q
InChIKey: KLCSZLKQTXQCTD-UHFFFAOYSA-N

Classification Codes

  • Enzyme Inhibitors
  • Folic Acid Antagonists

Molecular Formula

  • C12-H17-N5-O

Molecular Weight

  • 247.3
 
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Names and Synonyms

Name of Substance

  • 2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine

Synonyms

  • NSC 19732
  • UNII-Z6QS1AG93Q

Systematic Name

  • 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-1-(4-methoxyphenyl)-6,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 21316-30-3

FDA UNII

  • Z6QS1AG93Q

System Generated Number

  • 0021316303

Structure Descriptors

InChI

1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H4,13,14,15,16)

InChIKey

KLCSZLKQTXQCTD-UHFFFAOYSA-N

Smiles

c1cc(OC)ccc1N1C(N)=NC(N)=NC1(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.4 (none)   EXP
Water Solubility 1.12E+04 mg/L 25 EST
Vapor Pressure 1.04E-06 mm Hg 25 EST
Henry's Law Constant 4.31E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.70E-10 cm3/molecule-sec 25 EST

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