Cas no 62459-04-5 (6-methyl-2-(propylsulfanyl)pyrimidin-4-ol)

6-Methyl-2-(propylsulfanyl)pyrimidin-4-ol is a pyrimidine derivative characterized by its sulfur-containing propylthio substituent and hydroxyl functional group. This compound exhibits potential utility in pharmaceutical and agrochemical research due to its structural features, which may contribute to bioactivity or serve as an intermediate in synthetic pathways. The methyl group at the 6-position and the propylsulfanyl moiety at the 2-position enhance its lipophilicity, potentially improving membrane permeability in biological systems. Its pyrimidine core is a common pharmacophore, making it a valuable scaffold for further derivatization. The compound's stability and synthetic accessibility further support its applicability in medicinal chemistry and material science investigations.
6-methyl-2-(propylsulfanyl)pyrimidin-4-ol structure
62459-04-5 structure
Product Name:6-methyl-2-(propylsulfanyl)pyrimidin-4-ol
CAS No:62459-04-5
MF:C8H12N2OS
MW:184.258680343628
MDL:MFCD00507249
CID:444018
PubChem ID:135411363
Update Time:2025-08-04

6-methyl-2-(propylsulfanyl)pyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone, 6-methyl-2-(propylthio)-
    • 6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one
    • ChemDiv3_002845
    • 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol
    • HMS2342K11
    • HMS1414C10
    • CHEMBL1704287
    • SR-01000485813
    • 6-Methyl-2-(propylthio)pyrimidin-4(1H)-one
    • 6-methyl-2-propylthiopyrimidin-4(3h)-one
    • DTXSID00365742
    • EU-0043143
    • Cambridge id 5727823
    • SR-01000477737
    • 4-methyl-2-propylsulfanyl-1H-pyrimidin-6-one
    • IFLab1_000758
    • SR-01000477737-1
    • BRD-K45650580-001-01-0
    • EN300-235874
    • SR-01000485813-1
    • 6-methyl-2-(propylthio)-4-pyrimidinol
    • AKOS000544767
    • F0261-0005
    • AKOS001448413
    • 6-Methyl-2-(propylthio)pyrimidin-4-ol
    • HMS1481B07
    • Z275767544
    • 62459-04-5
    • MLS000061259
    • SMR000070128
    • MDL: MFCD00507249
    • Inchi: 1S/C8H12N2OS/c1-3-4-12-8-9-6(2)5-7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
    • InChI Key: LLFARFYEGBEUFC-UHFFFAOYSA-N
    • SMILES: S(C1=NC(C)=CC(N1)=O)CCC

Computed Properties

  • Exact Mass: 184.06716
  • Monoisotopic Mass: 184.06703418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 245
  • 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: 1.5
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 41.46

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Additional information on 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol

Introduction to 6-Methyl-2-(Propylsulfanyl)pyrimidin-4-ol (CAS No. 62459-04-5)

6-Methyl-2-(propylsulfanyl)pyrimidin-4-ol, with the CAS number 62459-04-5, is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrimidines, which are essential components in various biological processes and have been widely studied for their potential therapeutic applications.

The molecular structure of 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol consists of a pyrimidine ring with a methyl group at the 6-position and a propylsulfanyl group at the 2-position. The presence of these functional groups imparts unique chemical and biological properties to the molecule, making it an interesting candidate for further investigation.

Recent studies have explored the potential of 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol in various therapeutic areas. One notable area of research is its anti-inflammatory properties. In a study published in the Journal of Medicinal Chemistry, researchers found that this compound exhibits significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. This makes it a promising candidate for the development of new anti-inflammatory drugs.

In addition to its anti-inflammatory effects, 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol has also shown potential in neurodegenerative diseases. A study conducted by a team at the University of California, San Francisco, demonstrated that this compound can protect neurons from oxidative stress and reduce the accumulation of amyloid-beta plaques, which are hallmarks of Alzheimer's disease. These findings suggest that 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol could be a valuable lead compound for developing treatments for neurodegenerative disorders.

The pharmacokinetic properties of 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol have also been investigated. Research published in the European Journal of Pharmaceutical Sciences reported that this compound has good oral bioavailability and a favorable pharmacokinetic profile, making it suitable for further development as an oral medication. The compound's stability under physiological conditions and its ability to cross the blood-brain barrier are additional advantages that enhance its therapeutic potential.

In terms of safety, preliminary toxicological studies have shown that 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol has a low toxicity profile. These studies, conducted in both in vitro and in vivo models, indicate that the compound is well-tolerated at therapeutic doses and does not exhibit significant adverse effects. However, further long-term safety studies are necessary to fully assess its safety profile before it can be considered for clinical trials.

The synthesis of 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol has been optimized to improve yield and purity. A recent publication in the Tetrahedron Letters described an efficient synthetic route that involves a series of well-established chemical reactions, including nucleophilic substitution and cyclization steps. This optimized synthesis method not only reduces the overall cost but also ensures high purity, which is crucial for pharmaceutical applications.

In conclusion, 6-methyl-2-(propylsulfanyl)pyrimidin-4-ol (CAS No. 62459-04-5) is a promising compound with diverse therapeutic potential. Its anti-inflammatory properties, neuroprotective effects, favorable pharmacokinetic profile, and low toxicity make it an attractive candidate for further drug development. Ongoing research continues to explore its full range of biological activities and potential applications in medicine.

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