6-amino-2-methylpyrimidin-4-ol

• ChemBase ID: 302055
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: Cc1nc(cc(n1)O)N
• Canonical SMILES: Nc1cc(O)nc(n1)C
• InChI: InChI=1S/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)
• InChIKey: MVHONLHZERWNRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 6-amino-2-methylpyrimidin-4-ol
• Synonyms: 4-Amino-2-methyl-6-pyrimidinol hydrate; 4-Amino-6-hydroxy-2-methylpyrimidine dihydrate; 4-氨基-6-羟基-2-甲基嘧啶 水合物

Database IDs

• CAS Number: 388582-41-0
• EC Number: 212-182-0
• MDL Number: MFCD00150311
• Beilstein Number: 118273

CALCULATED PROPERTIES

• Acid pKa: 12.408651
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.74678594
• LogD (pH = 7.4): 0.7472987
• Log P: 0.74730945
• Molar Refractivity: 34.655 cm^3
• Polarizability: 12.089697 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98+%