Cas no 22868-79-7 (pyrimidine, 4,5,6-trimethyl- (8ci,9ci))

4,5,6-Trimethylpyrimidine (CAS: N/A; 8CI, 9CI) is a substituted pyrimidine derivative characterized by methyl groups at the 4, 5, and 6 positions. This heterocyclic compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structured methylation pattern enhances steric and electronic properties, making it valuable for fine-tuning reactivity in nucleophilic or electrophilic substitution reactions. The compound's stability and defined substitution profile facilitate controlled functionalization, enabling precise modifications for target applications. Suitable for research and industrial use, it is typically handled under inert conditions due to potential sensitivity. Purity and consistency are critical for reproducibility in synthetic pathways.
pyrimidine, 4,5,6-trimethyl- (8ci,9ci) structure
22868-79-7 structure
Product Name:pyrimidine, 4,5,6-trimethyl- (8ci,9ci)
CAS No:22868-79-7
MF:C7H10N2
MW:122.167701244354
CID:912483
PubChem ID:18736669
Update Time:2025-06-06

pyrimidine, 4,5,6-trimethyl- (8ci,9ci) Chemical and Physical Properties

Names and Identifiers

    • pyrimidine, 4,5,6-trimethyl- (8ci,9ci)
    • 4,5,6-trimethylpyrimidine
    • EN300-7107639
    • SCHEMBL862484
    • 22868-79-7
    • Inchi: 1S/C7H10N2/c1-5-6(2)8-4-9-7(5)3/h4H,1-3H3
    • InChI Key: HLTWPEDCRAMGSW-UHFFFAOYSA-N
    • SMILES: N1C=NC(C)=C(C)C=1C

Computed Properties

  • Exact Mass: 122.084398327g/mol
  • Monoisotopic Mass: 122.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 82.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 25.8?2

pyrimidine, 4,5,6-trimethyl- (8ci,9ci) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-7107639-0.05g
4,5,6-trimethylpyrimidine
22868-79-7 95%
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$202.0 2023-05-25
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$679.0 2023-05-25
Enamine
EN300-7107639-1.0g
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Enamine
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$2525.0 2023-05-25
Enamine
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$3746.0 2023-05-25
1PlusChem
1P00CCJQ-50mg
Pyrimidine, 4,5,6-trimethyl- (8CI,9CI)
22868-79-7 95%
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$303.00 2024-05-24
1PlusChem
1P00CCJQ-100mg
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