4-amino-6-methyl-1,3,5-triazin-2-ol

• ChemBase ID: 84439
• Molecular Formular: C4H6N4O
• Molecular Mass: 126.11664
• Monoisotopic Mass: 126.05416083
• SMILES: n1c(nc(nc1N)C)O
• Canonical SMILES: Cc1nc(N)nc(n1)O
• InChI: InChI=1S/C4H6N4O/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
• InChIKey: UUTHDVPZNWJUFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methyl-1,3,5-triazin-2-ol
• IUPAC Traditional name: 4-amino-6-methyl-1,3,5-triazin-2-ol
• Synonyms: 4-Amino-6-methyl-1,3,5-triazin-2-ol; 4-Hydroxy-6-methyl-1,3,5-triazin-2-amine; 2-Amino-4-hydroxy-6-methyl-1,3,5-triazine; 4-Amino-6-methyl-1,3,5-triazin-2-ol

Database IDs

• CAS Number: 16352-06-0
• MDL Number: MFCD00052767
• PubChem SID: 162071555
• PubChem CID: 20840

CALCULATED PROPERTIES

• Acid pKa: 14.30976
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.5026135
• LogD (pH = 7.4): 0.5027217
• Log P: 0.50272316
• Molar Refractivity: 33.7193 cm^3
• Polarizability: 11.274285 Å^3
• Polar Surface Area: 84.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >350°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%