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

• ChemBase ID: 308870
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(cc(nc1C)CCN)O
• Canonical SMILES: NCCc1cc(O)nc(n1)C
• InChI: InChI=1S/C7H11N3O/c1-5-9-6(2-3-8)4-7(11)10-5/h4H,2-3,8H2,1H3,(H,9,10,11)
• InChIKey: JMPZLHXAOVMOHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1092302-30-1
• MDL Number: MFCD11054028

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7680407
• LogD (pH = 7.4): -1.7182853
• Log P: 0.38366234
• Molar Refractivity: 42.2917 cm^3
• Polarizability: 16.050507 Å^3
• Polar Surface Area: 72.03 Å^2