Cas no 124703-81-7 (6-(propan-2-yl)pyrimidin-4-ol)

6-(Propan-2-yl)pyrimidin-4-ol is a substituted pyrimidine derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a hydroxyl group at the 4-position and an isopropyl substituent at the 6-position, contributing to its unique reactivity and binding properties. This compound may serve as a versatile intermediate in the synthesis of biologically active molecules, including kinase inhibitors or antimicrobial agents. Its moderate polarity and well-defined heterocyclic core enhance its utility in medicinal chemistry. The presence of both hydrogen-bond donor (OH) and acceptor (pyrimidine N) sites allows for targeted molecular interactions, making it valuable for structure-activity relationship studies.
6-(propan-2-yl)pyrimidin-4-ol structure
6-(propan-2-yl)pyrimidin-4-ol structure
Product Name:6-(propan-2-yl)pyrimidin-4-ol
CAS No:124703-81-7
MF:C7H10N2O
MW:138.167101383209
MDL:MFCD09909771
CID:103689
Update Time:2025-10-28

6-(propan-2-yl)pyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 6-Isopropylpyrimidin-4(3H)-one
    • 4(3H)-Pyrimidinone,6-(1-methylethyl)-
    • 4-HYDROXY-6-ISOPROPYLPYRIMIDINE
    • 6-Isopropylpyrimidin-4-ol
    • 6-propan-2-yl-1H-pyrimidin-4-one
    • 6-ISOPROPYL-4-PYRIMIDINOL
    • F1967-0480
    • 6-(propan-2-yl)pyrimidin-4-ol
    • MDL: MFCD09909771
    • Inchi: 1S/C7H10N2O/c1-5(2)6-3-7(10)9-4-8-6/h3-5H,1-2H3,(H,8,9,10)
    • InChI Key: ZNWRDDRXQOKOLM-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C(C)C)N=CN1

Computed Properties

  • Exact Mass: 138.07900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1

Experimental Properties

  • PSA: 46.01000
  • LogP: 1.30560

6-(propan-2-yl)pyrimidin-4-ol Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-(propan-2-yl)pyrimidin-4-ol Pricemore >>

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6-(propan-2-yl)pyrimidin-4-ol Related Literature

Additional information on 6-(propan-2-yl)pyrimidin-4-ol

6-(Propan-2-yl)pyrimidin-4-ol: A Comprehensive Overview

6-(Propan-2-yl)pyrimidin-4-ol, also known by its CAS number CAS No. 124703-81-7, is a heterocyclic organic compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the pyrimidine family, which is a class of six-membered aromatic rings containing two nitrogen atoms at positions 1 and 3. The presence of a propan-2-yl group at position 6 and a hydroxyl group at position 4 introduces unique chemical properties and potential applications in drug design and synthesis.

The structure of 6-(Propan-2-yl)pyrimidin-4-ol is characterized by its pyrimidine ring, which is a derivative of pyrimidine with substituents that enhance its reactivity and selectivity. The propan-2-yl group, also known as an isopropyl group, contributes to the molecule's lipophilicity, while the hydroxyl group at position 4 imparts hydrophilic properties. This balance of hydrophilic and lipophilic characteristics makes the compound an interesting candidate for various biological applications.

Recent studies have explored the potential of 6-(Propan-2-yl)pyrimidin-4-ol in medicinal chemistry, particularly in the development of kinase inhibitors. Kinases are enzymes that play critical roles in cell signaling pathways, and their dysregulation is associated with various diseases, including cancer. The ability of this compound to inhibit specific kinases has been investigated through computational modeling and in vitro assays, showing promising results in preclinical models.

In addition to its pharmacological applications, 6-(Propan-2-yl)pyrimidin-4-one (a related compound) has been studied for its potential as a building block in organic synthesis. Its versatility allows for the construction of complex molecular architectures, which can be further functionalized for diverse applications in materials science and biotechnology.

The synthesis of 6-(Propan-2-yl)pyrimidin-4-one typically involves multi-step reactions, including nucleophilic aromatic substitution and cyclization processes. Researchers have optimized these methods to improve yield and purity, making the compound more accessible for large-scale production and subsequent studies.

In terms of physical properties, CAS No. 124703817 exhibits a melting point of approximately 150°C and is soluble in common organic solvents such as dichloromethane and ethanol. Its UV-vis spectrum shows strong absorption bands in the ultraviolet region, indicating its potential use as a chromophore in optoelectronic materials.

The biological activity of 6-(Propan-2-yloxy)pyrimidinone, another derivative, has been explored in recent studies focusing on anti-inflammatory and antioxidant properties. These findings highlight the broader utility of pyrimidine derivatives beyond traditional pharmaceutical applications.

In conclusion, CAS No. 124703817, or 6-(Propan - yl) pyrimidin - ol, represents a valuable compound with diverse applications across multiple disciplines. Ongoing research continues to uncover new insights into its chemical properties and biological functions, positioning it as a key player in future advancements in drug discovery and materials science.

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