2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine

• ChemBase ID: 252228
• Molecular Formular: C6H11N5
• Molecular Mass: 153.18504
• Monoisotopic Mass: 153.10144538
• SMILES: c1(nc(nc(n1)C)N)N(C)C
• Canonical SMILES: Cc1nc(N)nc(n1)N(C)C
• InChI: InChI=1S/C6H11N5/c1-4-8-5(7)10-6(9-4)11(2)3/h1-3H3,(H2,7,8,9,10)
• InChIKey: DUAYDERMVQWIJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 2-N,2-N,6-trimethyl-1,3,5-triazine-2,4-diamine
• Synonyms: N,N,6-trimethyl-1,3,5-triazine-2,4-diamine

Database IDs

• CAS Number: 21320-31-0
• MDL Number: MFCD00067864
• PubChem SID: 164308138
• PubChem CID: 592622

CALCULATED PROPERTIES

• Acid pKa: 16.086
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.40914497
• LogD (pH = 7.4): 0.85875416
• Log P: 0.9845779
• Molar Refractivity: 46.167 cm^3
• Polarizability: 15.405682 Å^3
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.6

Product Information

• Purity: 95%