2-(4-methoxypyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803868
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: C(Cc1nc(ccn1)OC)N
• Canonical SMILES: COc1ccnc(n1)CCN
• InChI: InChI=1S/C7H11N3O/c1-11-7-3-5-9-6(10-7)2-4-8/h3,5H,2,4,8H2,1H3
• InChIKey: JNGLFUNIUKIGHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxypyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methoxypyrimidin-2-yl)ethanamine
• Synonyms: 2-(4-METHOXYPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8629942
• LogD (pH = 7.4): -1.6981052
• Log P: 0.26630092
• Molar Refractivity: 42.1825 cm^3
• Polarizability: 16.197165 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%