(2-phenoxypyrimidin-5-yl)methanamine

• ChemBase ID: 803614
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: C(N)c1cnc(nc1)Oc1ccccc1
• Canonical SMILES: NCc1cnc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H11N3O/c12-6-9-7-13-11(14-8-9)15-10-4-2-1-3-5-10/h1-5,7-8H,6,12H2
• InChIKey: KCFXHOSAEUIBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxypyrimidin-5-yl)methanamine
• IUPAC Traditional name: (2-phenoxypyrimidin-5-yl)methanamine
• Synonyms: 1-(2-PHENOXYPYRIMIDIN-5-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5034194
• LogD (pH = 7.4): -0.08664223
• Log P: 1.3545771
• Molar Refractivity: 57.3825 cm^3
• Polarizability: 22.237148 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%