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CS-W001157 4
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2-Imino-5,6-dimethyl-2,3-dihydropyrimidin-4(1h)-one

  • CAS No. 3977-23-9

  • Cat. No. CS-0280062
  • Molecule weight139.16
  • Purity≥97%
  • MDL No.None

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

2-Imino-5,6-dimethyl-2,3-dihydropyrimidin-4(1h)-one|CS-0280062

Structure of 3977-23-9

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General Information

  • CAS No. 3977-23-9
  • Cat. No. CS-0280062
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉N₃O
  • Molecular Weight 139.16
  • Synonym(s) 2-Amino-5,6-dimethyl-1H-pyrimidin-4-one
  • SMILES CC1=C(NC(NC1=O)=N)C

Synthesis

  • Route1
    • In-stock
      Ethyl 2-methyl-3-oxobutanoate|CS-W004822
      609-14-3
    • null|null
      594-14-9
    • ~%
    • In-stock
      2-Imino-5,6-dimethyl-2,3-dihydropyrimidin-4(1h)-one|CS-0280062
      3977-23-9

    References

    • Custelcean, Radu; Craciun, Liliana Tetrahedron, 2000 , vol. 56, # 29 p. 5067 - 5075
  • Route2

    References

    • Braker et al. Journal of the American Chemical Society, 1947 , vol. 69, p. 3072,3075

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.5
  • LogP   -0.20069
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   0

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