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CS-W001157 4
Total: USD 88.00

6-(Allylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

  • CAS No. 70540-90-8

  • Cat. No. CS-0555123
  • Purity≥98%
  • MDL No.None

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

6-(Allylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione|CS-0555123

Structure of 70540-90-8

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General Information

  • CAS No. 70540-90-8
  • Cat. No. CS-0555123
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃N₃O₂
  • Molecular Weight 195.22
  • Synonym(s) 1,3-Dimethyl-6-(allylamino)uracil
  • SMILES CN1C(=CC(=O)N(C1=O)C)NCC=C

Synthesis

  • Route1
    • 1,3-Dimethyl-6-Cyanouracil|CS-0766843
      49846-86-8
    • null|null
      107-11-9
    • ~44%
    • 6-(Allylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione|CS-0555123
      70540-90-8

    References

    • Lin, Jian-Bang; He, Jhih-Li; Shih, Yu-Chiao; Chien, Tun-Cheng Tetrahedron Letters, 2011 , vol. 52, # 31 p. 3969 - 3972
  • Route2
    • 6-Chloro-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Urapidil  Impurity|CS-0229366
      6972-27-6
    • null|null
      107-11-9
    • ~58%
    • 6-(Allylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione|CS-0555123
      70540-90-8

    References

    • Itoh, Tsuneo; Imini, Toshihiko; Ogura, Haruo; Kawahara, Norio; Nakajima, Takako; et al. Heterocycles, 1983 , vol. 20, # 11 p. 2177 - 2180

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

Quality Control

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   -0.3181
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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