4-methoxypyridin-2-amine

• ChemBase ID: 21445
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1cnc(cc1OC)N
• Canonical SMILES: COc1ccnc(c1)N
• InChI: InChI=1S/C6H8N2O/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
• InChIKey: QPHBCOSULYSASF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridin-2-amine
• IUPAC Traditional name: 4-methoxypyridin-2-amine
• Synonyms: (4-Methoxypyridin-2-yl)amine; 4-(Methyloxy)-2-pyridinamine; 4-Methoxy-2-aminopyridine; 4-Methoxy-pyridin-2-ylamine; 4-Methoxy-pyridin-2-ylamine; 4-Methoxypyridin-2-amine; 2-Amino-4-methoxypyridine; 4-methoxypyridin-2-amine

Database IDs

• CAS Number: 10201-73-7
• MDL Number: MFCD07437849
• PubChem SID: 160984752
• PubChem CID: 10898715

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.101786
• LogD (pH = 7.4): -0.4185638
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.0886 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 117-119°C; 120-121°C; 99 - 101°C
• Partition Coefficient: 0.4
• Hydrophobicity(logP): 0.762

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2O

DETAILS

Sigma Aldrich - ADE000353

Other Notes
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Legal Information
Product of Adesis

Toronto Research Chemicals - A611995

2-Amino-4-methoxypyridine is a highly selective inducible nitric oxide synthase inhibitors.

REFERENCES

• Connolly, S. et al.: J. Med. Chem., 47, 3320 (2004)