4-ethoxy-6-methyl-1,3,5-triazin-2-amine

• ChemBase ID: 37125
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(nc(nc(n1)OCC)N)C
• Canonical SMILES: CCOc1nc(C)nc(n1)N
• InChI: InChI=1S/C6H10N4O/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
• InChIKey: WBYRNUWFQADAPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-6-methyl-1,3,5-triazin-2-amine
• IUPAC Traditional name: 4-ethoxy-6-methyl-1,3,5-triazin-2-amine
• Synonyms: 4-Ethoxy-6-methyl-1,3,5-triazin-2-amine

Database IDs

• CAS Number: 3882-66-4
• MDL Number: MFCD00463474
• PubChem SID: 161000432
• PubChem CID: 77490

CALCULATED PROPERTIES

• Acid pKa: 15.445702
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9235038
• LogD (pH = 7.4): 0.9357157
• Log P: 0.9358737
• Molar Refractivity: 42.9502 cm^3
• Polarizability: 14.978236 Å^3
• Polar Surface Area: 73.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false