2-(5-methoxypyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 803833
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: C(Cc1ncc(cn1)OC)N
• Canonical SMILES: NCCc1ncc(cn1)OC
• InChI: InChI=1S/C7H11N3O/c1-11-6-4-9-7(2-3-8)10-5-6/h4-5H,2-3,8H2,1H3
• InChIKey: ZLTVQNZKHPNYBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxypyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methoxypyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-METHOXYPYRIMIDIN-2-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4986045
• LogD (pH = 7.4): -2.3775034
• Log P: -0.3600742
• Molar Refractivity: 41.869 cm^3
• Polarizability: 16.197767 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%