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CS-W001157 4
Total: USD 88.00

1-Methyltetrahydropyrimidin-2(1H)-one

  • CAS No. 10166-54-8

  • Cat. No. CS-0068150
  • Purity≥98%
  • MDL No.MFCD00196814

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

1-Methyltetrahydropyrimidin-2(1H)-one|CS-0068150

Structure of 10166-54-8

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General Information

  • CAS No. 10166-54-8
  • Cat. No. CS-0068150
  • Purity ≥98%
  • MDL No. MFCD00196814
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀N₂O
  • Molecular Weight 114.15
  • Synonym(s) 1-methyltetrahydro-2(1H)-pyrimidinone
  • SMILES O=C1NCCCN1C

Description

1-Methyltetrahydropyrimidin-2(1H)-one features a saturated pyrimidine core with a methylated nitrogen and a carbonyl group, delivering enhanced solubility and stability under standard conditions. This scaffold integrates readily into medicinal chemistry campaigns, serving as a bioisostere for cyclic amides and enabling efficient access to diverse heterocyclic architectures.

Application

1-Methyltetrahydropyrimidin-2(1H)-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds. Its stable tetrahydropyrimidinone core exhibits favorable functional group tolerance and facilitates straightforward derivatization via nucleophilic substitution or condensation reactions. The molecule's bench stability and ease of purification make it a practical choice for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      N-Methylpropane-1,3-diamine|CS-W011350
      6291-84-5
    • ~31%
    • In-stock
      1-Methyltetrahydropyrimidin-2(1H)-one|CS-0068150
      10166-54-8

    References

    • Organic Letters, , vol. 1, # 7 p. 961 - 964
  • Route2
    • null|null
      530-62-1
    • In-stock
      N-Methylpropane-1,3-diamine|CS-W011350
      6291-84-5
    • ~9%
    • In-stock
      1-Methyltetrahydropyrimidin-2(1H)-one|CS-0068150
      10166-54-8

    References

    • WO2009/123870 A1, ; Page/Page column 63-64 ; WO 2009/123870 A1
  • Route3
    • null|null
      124-38-9
    • In-stock
      N-Methylpropane-1,3-diamine|CS-W011350
      6291-84-5
    • ~88%
    • In-stock
      1-Methyltetrahydropyrimidin-2(1H)-one|CS-0068150
      10166-54-8

    References

    • Green Chemistry, , vol. 15, # 6 p. 1567 - 1577

Safety Information

Download SDS
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 : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   0.0315
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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