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CS-W001157 4
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6-(Benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione

  • CAS No. 5759-79-5

  • Cat. No. CS-0071790
  • Molecule weight231.25
  • Purity≥97%
  • MDL No.MFCD00435399

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

6-(Benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0071790

Structure of 5759-79-5

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General Information

  • CAS No. 5759-79-5
  • Cat. No. CS-0071790
  • Purity ≥97%
  • MDL No. MFCD00435399
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃N₃O₂
  • Molecular Weight 231.25
  • Synonym(s) 6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
  • SMILES O=C(NC(NCC1=CC=CC=C1)=C2)N(C)C2=O

Synthesis

  • Route1
    • 6-Chloro-3-methyluracil Alogliptin Impurity|CS-0228716
      4318-56-3
    • null|null
      100-46-9
    • ~70%
    • 6-(Benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione|CS-0071790
      5759-79-5

    References

    • Bozoova, Alena; Rybar, Alfonz; Alfoeldi, Juraj; Basnakova, Gabriela Collection of Czechoslovak Chemical Communications, 1992 , vol. 57, # 6 p. 1314 - 1325
  • Route2

    References

    • Shamim; Ukena; Padgett; Daly Journal of Medicinal Chemistry, 1989 , vol. 32, # 6 p. 1231 - 1237

Safety Information

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Computational Chemistry Data

  • TPSA   66.89
  • LogP   0.6857
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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