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CS-W001157 4
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N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide

  • CAS No. 137281-08-4

  • Cat. No. CS-0099164
  • Molecule weight234.25
  • Purity≥97%
  • MDL No.MFCD11109810

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

N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide|CS-0099164

Structure of 137281-08-4

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General Information

  • CAS No. 137281-08-4
  • Cat. No. CS-0099164
  • Purity ≥97%
  • MDL No. MFCD11109810
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₄O₂
  • Molecular Weight 234.25
  • Synonym(s) N-(4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide
  • SMILES CC(C)(C(NC(NC1=C2C=CN1)=NC2=O)=O)C

Synthesis

  • Route1
    • 2,6-Diamino-5-(2,2-diethoxyethyl)pyrimidin-4(3h)-one|CS-0668844
      63026-85-7
    • null|null
      1538-75-6
    • ~%
    • N-(4-Oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-yl)pivalamide|CS-0099164
      137281-08-4

    References

    • Gibson, Colin L.; Ohta, Kyuji; Paulini, Klaus; Suckling, Colin J. Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 18 p. 3025 - 3031
  • Route2

    References

    • Shi, Jiandong; Van De Water, Ryan; Hong, Kevin; Lamer, Ryan B.; Weichert, Kenneth W.; Sandoval, Cristina M.; Kasibhatla, Srinivas R.; Boehm, Marcus F.; Chao, Jianhua; Lundgren, Karen; Timple, Noelito; Lough, Rachel; Ibanez, Gerardo; Boykin, Christina; Burrows, Francis J.; Kehry, Marilyn R.; Yun, Theodore J.; Harning, Erin K.; Ambrose, Christine; Thompson, Jeffrey; Bixler, Sarah A.; Dunah, Anthone; Snodgrass-Belt, Pamela; Arndt, Joseph; Enyedy, Istvan J.; Li, Ping; Hong, Victor S.; McKenzie, Andres; Biamonte, Marco A. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7786 - 7795

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   90.64
  • LogP   1.2358
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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