4-amino-2-methylpyrimidin-5-ol

• ChemBase ID: 241789
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: n1c(c(cnc1C)O)N
• Canonical SMILES: Cc1ncc(c(n1)N)O
• InChI: InChI=1S/C5H7N3O/c1-3-7-2-4(9)5(6)8-3/h2,9H,1H3,(H2,6,7,8)
• InChIKey: APMWJVUIUZNXCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-methylpyrimidin-5-ol
• IUPAC Traditional name: 4-amino-2-methylpyrimidin-5-ol
• Synonyms: 4-amino-2-methylpyrimidin-5-ol

Database IDs

• MDL Number: MFCD18822076
• PubChem SID: 164297699
• PubChem CID: 13126852

CALCULATED PROPERTIES

• Acid pKa: 9.394359
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.88511604
• LogD (pH = 7.4): 0.06184404
• Log P: 0.12093434
• Molar Refractivity: 34.3415 cm^3
• Polarizability: 12.091251 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.166

Product Information

• Purity: 95%