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CS-W001157 4
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2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4(3H)-one

  • CAS No. 92440-76-1

  • Cat. No. CS-0461925
  • Purity≥98%
  • MDL No.None

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

2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4(3H)-one|CS-0461925

Structure of 92440-76-1

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General Information

  • CAS No. 92440-76-1
  • Cat. No. CS-0461925
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇N₃O₄
  • Molecular Weight 291.30
  • Synonym(s) 4-Desamino-4-hydroxy trimethoprim
  • SMILES O=C1NC(=NC=C1CC2=CC(OC)=C(OC)C(OC)=C2)N

Synthesis

  • Route1
    • Ethyl 3-(3,4,5-trimethoxyphenyl)propanoate|CS-0466229
      70311-20-5
    • In-stock
      Bisguanidinium carbonate|CS-0015157
      593-85-1
    • null|null
      109-94-4
    • ~30%
    • 2-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4(3H)-one|CS-0461925
      92440-76-1

    References

    • Hess; Doelker; Haferburg; Kertscher; Matysik; Ortwein; Teubert; Zimmermann; Eger Pharmazie, 2001 , vol. 56, # 4 p. 306 - 310

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   99.46
  • LogP   0.9687
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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