2-amino-6-ethyl-5-methylpyrimidin-4-ol

• ChemBase ID: 308550
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(c(c(nc1N)CC)C)O
• Canonical SMILES: CCc1nc(N)nc(c1C)O
• InChI: InChI=1S/C7H11N3O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,11)
• InChIKey: OWHWLTIBGSRUMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-ethyl-5-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-amino-6-ethyl-5-methylpyrimidin-4-ol
• Synonyms: 2-amino-6-ethyl-5-methyl-4-pyrimidinol

Database IDs

• CAS Number: 134277-54-6
• MDL Number: MFCD01846289

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5355686
• LogD (pH = 7.4): 1.5358105
• Log P: 1.5358151
• Molar Refractivity: 43.9227 cm^3
• Polarizability: 15.676915 Å^3
• Polar Surface Area: 72.03 Å^2