2-Amino-5-methylpyridine - ≥99% , CAS No.1603-41-4

CAS: 1603-41-4 Cat. No.: A107505 Molecular Weight: 108.14 Beilstein Registry Number: 107050 EC Number: 216-503-5

GRADE & PURITY ≥99%

Synonyms

2-amino-5-methyl pyridine | 6-Amino-3-methylpyridine | amino-5-picoline | Q27271041 | NSC 96444 | STR01239 | BRN 0107050 | STK398101 | Tox21_200474 | NSC96444 | NSC-96444 | SCHEMBL16868 | 2-amino-5methylpyridine | 2-Amino-5-methylpyridine | 2-amino-5-meth

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2-amino-5-methyl pyridine | 6-Amino-3-methylpyridine | amino-5-picoline | Q27271041 | NSC 96444 | STR01239 | BRN 0107050 | STK398101 | Tox21_200474 | NSC96444 | NSC-96444 | SCHEMBL16868 | 2-amino-5methylpyridine | 2-Amino-5-methylpyridine | 2-amino-5-meth

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488182106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182106
• Canonical Smiles: CC1=CN=C(C=C1)N
• IUPAC Name: 5-methylpyridin-2-amine
• InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
• Isomeric SMILES: CC1=CN=C(C=C1)N
• WGK Germany: 3
• RTECS: TJ5141000
• UN Number: 2811
• Molecular Weight: 108.14
• Beilstein: 107050
• Reaxy-Rn: 107050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Aminopyridine - 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 aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine 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)

NOS2 Tchem Nitric oxide synthase, inducible (1 Activities)

Discover Target: NOS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NOS1 Tchem Nitric-oxide synthase, brain (1786 Activities)

Discover Target: NOS1

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

NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

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

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: souble in water;souble in Methanol
• Sensitivity: Under Inert Atmosphere
• Flash Point(°F): 244°F
• Flash Point(°C): 118℃
• Boil Point(°C): 227°C
• Melt Point(°C): 76-77°C
• Molecular Weight: 108.140 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.900
• 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

1. Jingxuan Lu, Jingwen Luo, Jie Li, Shiyan Fu, Yonghong Ran, Juan Li, Yazhen Zhao, Yuhui Hao.  (2023)  Fluorescent Pirfenidone-Cerium(III) nanocomplexes protect against radiation-induced pulmonary fibrosis and inhibit tumor cell growth.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2023.104651]

2. Liu Weixiang, Qin Yukun, Liu Song, Xing Ronge, Yu Huahua, Chen Xiaolin, Li Kecheng, Li Pengcheng.  (2018)  Synthesis of C-coordinated O-carboxymethyl chitosan metal complexes and evaluation of their antifungal activity.  Scientific Reports,  8  (1): (1-10).  [PMID:29556071] [10.1038/s41598-018-23283-9]