2-(benzyloxy)pyridin-4-amine

• ChemBase ID: 159840
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: Nc1cc(ncc1)OCc1ccccc1
• Canonical SMILES: Nc1ccnc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,14)
• InChIKey: RYFNILBIJULGJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)pyridin-4-amine
• IUPAC Traditional name: 2-(benzyloxy)pyridin-4-amine
• Synonyms: 2-(Phenylmethoxy)-4-pyridinamine; 2-(Benzyloxy)pyridin-4-amine; 4-Amino-2-benzyloxypyridine

Database IDs

• CAS Number: 1214900-01-2
• PubChem SID: 162253975
• PubChem CID: 59276233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0237805
• LogD (pH = 7.4): 2.0069485
• Log P: 2.0879068
• Molar Refractivity: 59.9908 cm^3
• Polarizability: 22.681974 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A600230

4-Amino-2-benzyloxypyridine is used in preparation of nicotinamide derivatives as Syk inhibitors.

REFERENCES

• Xie, H., et al.: Bioorg. Med. Chem. Lett., 19, 1944 (2009)