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CS-W001157 4
Total: USD 88.00

2,4-Diaminopyrimidine-5-carbonitrile

  • CAS No. 16462-27-4

  • Cat. No. CS-0045751
  • Purity≥95%
  • MDL No.MFCD00085600

*For research and further manufacturing use only, not for direct human use.

2,4-Diaminopyrimidine-5-carbonitrile|CS-0045751

Structure of 16462-27-4

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General Information

  • CAS No. 16462-27-4
  • Cat. No. CS-0045751
  • Purity ≥95%
  • MDL No. MFCD00085600
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₅
  • Molecular Weight 135.13
  • Synonym(s) 5-Pyrimidinecarbonitrile, 2,4-diamino- (6CI,8CI,9CI)
  • SMILES C1=C(C(=NC(=N1)N)N)C#N

Synthesis

  • Route1

    References

    • Karoli, Tomislav; Mamidyala, Sreeman K.; Zuegg, Johannes; Fry, Scott R.; Tee, Ernest H.L.; Bradford, Tanya A.; Madala, Praveen K.; Huang, Johnny X.; Ramu, Soumya; Butler, Mark S.; Cooper, Matthew A. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 7 p. 2428 - 2433
  • Route2
    • 2,4-Diamino-5-pyrimidinemethanol|CS-0045836
      42310-45-2
    • In-stock
      2,6-Diethylphenol|CS-W006844
      1006-59-3
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      2,4-Diaminopyrimidine-5-carbonitrile|CS-0045751
      16462-27-4
    • null|null
      36821-97-3

    References

    • Burroughs Wellcome Co. Patent: US4116958 A1, 1978 ;
  • Route3
    • null|null
      506-93-4
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~61%
    • In-stock
      2,4-Diaminopyrimidine-5-carbonitrile|CS-0045751
      16462-27-4

    References

    • Bag, Seema; Tawari, Nilesh R.; Degani, Mariam S.; Queener, Sherry F. Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 9 p. 3187 - 3197

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   101.61
  • LogP   -0.48732
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   0

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