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CS-W001157 4
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5-Methylpyrimidine

  • CAS No. 2036-41-1

  • Cat. No. CS-D0065
  • Purity≥96%
  • MDL No.MFCD00047386

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

5-Methylpyrimidine|CS-D0065

Structure of 2036-41-1

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General Information

  • CAS No. 2036-41-1
  • Cat. No. CS-D0065
  • Purity ≥96%
  • MDL No. MFCD00047386
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂
  • Molecular Weight 94.11
  • Synonym(s) 5-Methyl-1,3-diazine; Pyrimidine, 5-methyl-
  • SMILES CC1=CN=CN=C1

Description

5-Methylpyrimidine features a methyl group at the pyrimidine ring's 5-position, enhancing electron density and altering reactivity compared to parent pyrimidine. This substitution improves stability under standard conditions and facilitates selective functionalization in synthetic pathways. The compound serves as a key scaffold in heterocyclic chemistry, particularly for medicinal chemistry applications requiring tunable electronic properties and metabolic resistance.

Application

5-Methylpyrimidine serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its pyrimidine core provides a robust scaffold for functionalization at nitrogen and carbon positions, enabling access to diverse derivatives via electrophilic substitution or transition-metal-catalyzed coupling. The methyl group enhances metabolic stability and modulates electronic properties, contributing to improved pharmacokinetic profiles. This compound exhibits excellent bench stability and compatibility with standard synthetic protocols, facilitating efficient purification and integration into complex molecular architectures.

Synthesis

  • Route1

    References

    • Jaber, Nimer; Schumann, Herbert; Blum, Jochanan Journal of Heterocyclic Chemistry, 2003 , vol. 40, # 4 p. 565 - 567
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 79, p. 2233,2234
  • Route3
    • null|null
      144173-85-3
    • null|null
      74-88-4
    • ~84%
    • In-stock
      5-Methylpyrimidine|CS-D0065
      2036-41-1

    References

    • Suzuki, Masaaki; Sumi, Kengo; Koyama, Hiroko; Siqin; Hosoya, Takamitsu; Takashima-Hirano, Misato; Doi, Hisashi Chemistry - A European Journal, 2009 , vol. 15, # 45 p. 12489 - 12495

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅲ
Hazard Statements : H228-H302
Precautionary Statements : P210-P240-P241-P264-P270-P280-P330-P370+P378-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   0.78502
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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