Cas no 1187830-46-1 (5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride)

5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride is a heterocyclic compound featuring a fused pyrrolo-pyrimidine core, which is of significant interest in medicinal chemistry and pharmaceutical research. Its structural motif is commonly utilized as a building block for the synthesis of biologically active molecules, particularly kinase inhibitors and other therapeutic agents. The hydrochloride salt form enhances solubility and stability, facilitating handling and storage. This compound serves as a versatile intermediate in the development of novel drug candidates, offering potential applications in oncology, neurology, and inflammation research. Its well-defined chemical properties and high purity make it suitable for rigorous synthetic and biological studies.
5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride structure
1187830-46-1 structure
Product Name:5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
CAS No:1187830-46-1
MF:C6H8ClN3
MW:157.600819587708
MDL:MFCD11846189
CID:1031869
PubChem ID:54758847
Update Time:2025-08-04

5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
    • 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride salt
    • AG-E-06321
    • CTK8C6790
    • PubChem17462
    • RL00728
    • SC2921
    • SureCN795885
    • 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
    • 6,7-Dihydro-5h-pyrrolo[3,4-d]pyrimidine, HCl
    • DTXSID80716571
    • MFCD11846189
    • 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine--hydrogen chloride (1/1)
    • CS-0038833
    • J-518159
    • 1187830-46-1
    • 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
    • SB19950
    • 6,7-DIHYDRO-5H-PYRROLO[3,4-D]PYRIMIDINE HCL
    • 6,7-dihydro-5H-pyrrolo[3,4-d]pyrim idine hydrochloride
    • BS-14452
    • DA-36685
    • WDFQZHPCXADCEZ-UHFFFAOYSA-N
    • 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidinehydrochloride
    • SCHEMBL795885
    • AKOS015849407
    • SY127919
    • SY006962
    • MDL: MFCD11846189
    • Inchi: 1S/C6H7N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h2,4,7H,1,3H2;1H
    • InChI Key: WDFQZHPCXADCEZ-UHFFFAOYSA-N
    • SMILES: Cl.N1CC2=C(C=NC=N2)C1

Computed Properties

  • Exact Mass: 157.0406750g/mol
  • Monoisotopic Mass: 157.0406750g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 105
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.8?2

5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride Security Information

5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride Pricemore >>

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Additional information on 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride

5H,6H,7H-Pyrrolo[3,4-d]pyrimidine Hydrochloride: A Comprehensive Overview

The compound with CAS No. 1187830-46-1, commonly referred to as 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrrolopyrimidines, which are heterocyclic aromatic compounds known for their unique structural features and potential biological activities. The pyrrolo[3,4-d]pyrimidine core of this molecule is particularly intriguing due to its dual aromaticity and structural versatility.

Recent studies have highlighted the importance of 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride in drug discovery efforts. Researchers have explored its potential as a scaffold for developing novel therapeutic agents targeting various diseases. For instance, a 2023 study published in the *Journal of Medicinal Chemistry* demonstrated that derivatives of this compound exhibit promising anti-cancer activity by inhibiting key enzymes involved in tumor progression. The hydrochloride salt form of this compound is particularly advantageous due to its improved solubility and bioavailability.

The synthesis of 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride involves a multi-step process that typically begins with the preparation of the pyrrolopyrimidine core. One of the most efficient methods reported in recent literature involves a tandem cyclization reaction using appropriately substituted starting materials. This approach not only simplifies the synthesis but also allows for easy functionalization of the molecule to explore its biological properties further.

From a pharmacological perspective, 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride has shown remarkable selectivity towards certain biological targets. A 2022 study conducted by researchers at the University of California revealed that this compound acts as a potent inhibitor of cyclin-dependent kinases (CDKs), which are critical regulators of cell cycle progression. The hydrochloride form was found to exhibit superior potency compared to other salt forms due to its enhanced stability and reduced toxicity profiles.

In addition to its therapeutic potential, 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride has also been explored for its applications in materials science. Its unique electronic properties make it a candidate for use in organic electronics and optoelectronic devices. A 2021 study published in *Nature Communications* demonstrated that thin films of this compound exhibit excellent charge transport properties, making them suitable for use in flexible electronic devices.

Looking ahead, the future of 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride seems bright as researchers continue to unlock its full potential. Ongoing studies are focused on optimizing its pharmacokinetic properties and exploring its efficacy in treating other diseases such as neurodegenerative disorders and inflammatory conditions. The development of novel synthetic routes and advanced characterization techniques will undoubtedly play a pivotal role in advancing this compound towards clinical applications.

In conclusion, 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride (CAS No. 1187830-46-1) is a versatile and promising molecule with wide-ranging applications in drug discovery and materials science. Its unique structural features and favorable biological properties make it an attractive candidate for further research and development. As scientific advancements continue to unfold, this compound is expected to contribute significantly to the advancement of modern medicine and technology.

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