Aminopyrazine - ≥99% , CAS No.5049-61-6

CAS: 5049-61-6 Cat. No.: A111242 Molecular Weight: 95.1 Beilstein Registry Number: 107025 EC Number: 225-748-7

GRADE & PURITY ≥99%

Synonyms

F2169-0758 | Pyrazine, 2-amino- | EINECS 225-748-7 | AC-907/25014024 | AKOS000120229 | MFCD00007083 | pyrazineamine | FT-0682702 | 2-(1,3-dioxoisoindolin-2-yl)ethyl acetate | STL137799 | CL4536 | Aminopyrazine, purum, >=97.0% (NT) | DTXSID80198510 | W-105

Storage

Room temperature

Shipped In

Normal

Overview

Aminopyrazine is a synthetic intermediate.
A synthetic intermediate

Specifications

Synonyms

F2169-0758 | Pyrazine, 2-amino- | EINECS 225-748-7 | AC-907/25014024 | AKOS000120229 | MFCD00007083 | pyrazineamine | FT-0682702 | 2-(1, 3-dioxoisoindolin-2-yl)ethyl acetate | STL137799 | CL4536 | Aminopyrazine, purum, >=97.0% (NT) | DTXSID80198510 | W-105

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488185616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185616
• Canonical Smiles: C1=CN=C(C=N1)N
• IUPAC Name: pyrazin-2-amine
• InChIKey: XFTQRUTUGRCSGO-UHFFFAOYSA-N
• INCHI: 1S/C4H5N3/c5-4-3-6-1-2-7-4/h1-3H,(H2,5,7)
• Isomeric SMILES: C1=CN=C(C=N1)N
• WGK Germany: 3
• Molecular Weight: 95.1
• Beilstein: 107025
• Reaxy-Rn: 107025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107025&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrazines
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Melt Point(°C): 117-120°C
• Molecular Weight: 95.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 95.0483 Da
• Monoisotopic Mass: 95.0483 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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3. Lei Wang, Xianying Bai, Yawei Gu, Xinxin Shi, Shilong Wang, Jingxian Hua, Rujing Hou, Chongqing Wang, Yichang Pan.  (2023)  Aligned Metal–Organic Framework Nanoplates in Mixed-Matrix Membranes for Highly Selective CO2/CH4 Separation.  Advanced Materials Interfaces,  10  (12): (2202524).  [PMID:] [10.1002/admi.202202524]

4. Hao Tang, Hong Zhou.  (2019)  A novel nitrogen, phosphorus, and boron ionic pair compound toward fire safety and mechanical enhancement effect for epoxy resin.  POLYMERS FOR ADVANCED TECHNOLOGIES,  31  (4): (885-897).  [PMID:] [10.1002/pat.4823]

5. Hao Tang, ZongMin Zhu, Rui Chen, JunJie Wang, Hong Zhou.  (2019)  Synthesis of DOPO-based pyrazine derivative and its effect on flame retardancy and thermal stability of epoxy resin.  POLYMERS FOR ADVANCED TECHNOLOGIES,  30  (9): (2331-2339).  [PMID:] [10.1002/pat.4674]

6. Huan Yang, Li He, Shuang Pan, Hui Liu, Xiaoli Hu.  (2018)  Nitrogen-doped fluorescent carbon dots for highly sensitive and selective detection of tannic acid.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:30453186] [10.1016/j.saa.2018.11.029]

7. Hongmei Chen, Yanyun Fan, Kexin Shi, Peng Wang, Chong-Chen Wang.  (2024)  Implanting pyrazine ring into g-C3N4 for accelerating photocatalytic hydrogen evolution.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2023.173410]

8. Qi Yang, Zhao Wang, Li Yang, Yue Zhu, Han Cao, Yao Wu.  (2025)  Simple fabrication of bimetallic metal-organic framework derived magnetic flower-like composites for selective adsorption of hemoglobin: isotherm, kinetic, and thermodynamic studies.  Materials Research Express,      [PMID:] [10.1088/2053-1591/adbdad]