2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol

• ChemBase ID: 311017
• Molecular Formular: C11H12N4O
• Molecular Mass: 216.23918
• Monoisotopic Mass: 216.10111102
• SMILES: c1(nc(nc(n1)C)NC)c1c(O)cccc1
• Canonical SMILES: CNc1nc(C)nc(n1)c1ccccc1O
• InChI: InChI=1S/C11H12N4O/c1-7-13-10(15-11(12-2)14-7)8-5-3-4-6-9(8)16/h3-6,16H,1-2H3,(H,12,13,14,15)
• InChIKey: JIMCXDPSVCYANB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
• IUPAC Traditional name: 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
• Synonyms: 2-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol

Database IDs

• CAS Number: 146998-51-8
• MDL Number: MFCD01826585

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.6003504
• LogD (pH = 7.4): 2.243022
• Log P: 2.6164267
• Molar Refractivity: 74.6778 cm^3
• Polarizability: 23.27653 Å^3
• Polar Surface Area: 70.93 Å^2