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CS-W001157 4
Total: USD 88.00

5,6-Diamino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione

  • CAS No. 78033-18-8

  • Cat. No. CS-0545380
  • Molecule weight212.25
  • Purity≥98%
  • MDL No.None

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

5,6-Diamino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0545380

Structure of 78033-18-8

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General Information

  • CAS No. 78033-18-8
  • Cat. No. CS-0545380
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆N₄O₂
  • Molecular Weight 212.25
  • Synonym(s) 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione
  • SMILES CC(C)CN1C(=C(C(=O)N(C1=O)C)N)N

Synthesis

  • Route1
    • null|null
      54052-67-4
    • ~92%
    • 5,6-Diamino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0545380
      78033-18-8

    References

    • Regnier, Gilbert L.; Guillonneau, Claude G.; Duhault, Jacques L.; Tisserand, Francoise P.; Saint-Romas, Guy; Holstorp, Sophie M. European Journal of Medicinal Chemistry, 1987 , vol. 22, p. 243 - 250
  • Route2
    • 6-Amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0132154
      58481-39-3
    • ~%
    • 5,6-Diamino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0545380
      78033-18-8

    References

    • Wells; Garst; Kramer Journal of Medicinal Chemistry, 1981 , vol. 24, # 8 p. 954 - 958
  • Route3
    • null|null
      38014-54-9
    • ~%
    • 5,6-Diamino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0545380
      78033-18-8

    References

    • Merlos; Gomez; Vericat; Bartroli; Garcia-Rafanell; Forn European Journal of Medicinal Chemistry, 1990 , vol. 25, # 8 p. 653 - 658

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   96.04
  • LogP   -0.6326
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   2

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