2-(2-aminoethyl)-6-methylpyrimidin-4-ol

• ChemBase ID: 307040
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(nc(cc1O)C)CCN
• Canonical SMILES: NCCc1nc(C)cc(n1)O
• InChI: InChI=1S/C7H11N3O/c1-5-4-7(11)10-6(9-5)2-3-8/h4H,2-3,8H2,1H3,(H,9,10,11)
• InChIKey: YRDIWJBCSODJQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-(2-aminoethyl)-6-methylpyrimidin-4-ol
• Synonyms: 2-(2-aminoethyl)-6-methylpyrimidin-4-ol

Database IDs

• MDL Number: MFCD09971167

CALCULATED PROPERTIES

• Acid pKa: 12.720177
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• LogD (pH = 5.5): -2.7461991
• LogD (pH = 7.4): -1.585086
• Log P: 0.38366234
• Molar Refractivity: 42.2917 cm^3
• Polarizability: 16.050646 Å^3
• Polar Surface Area: 72.03 Å^2
• H Acceptors: 4
• H Donor: 2

PROPERTIES

Product Information

• Purity: 98%