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

• ChemBase ID: 308241
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(c(c(nc1N)C)CC)O
• Canonical SMILES: CCc1c(C)nc(nc1O)N
• InChI: InChI=1S/C7H11N3O/c1-3-5-4(2)9-7(8)10-6(5)11/h3H2,1-2H3,(H3,8,9,10,11)
• InChIKey: MMROOMZDXHEPGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 28224-69-3
• MDL Number: MFCD04037414

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2795483
• LogD (pH = 7.4): 1.2798425
• Log P: 1.279848
• Molar Refractivity: 43.8968 cm^3
• Polarizability: 15.676737 Å^3
• Polar Surface Area: 72.03 Å^2