6-[4-(1-methoxyethyl)phenyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

• ChemBase ID: 508533
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: n1c(nc(nc1c1ccc(cc1)C(OC)C)N)Nc1ccc(cc1)C
• Canonical SMILES: COC(c1ccc(cc1)c1nc(Nc2ccc(cc2)C)nc(n1)N)C
• InChI: InChI=1S/C19H21N5O/c1-12-4-10-16(11-5-12)21-19-23-17(22-18(20)24-19)15-8-6-14(7-9-15)13(2)25-3/h4-11,13H,1-3H3,(H3,20,21,22,23,24)
• InChIKey: DLIPZQDPDVBOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(1-methoxyethyl)phenyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 6-[4-(1-methoxyethyl)phenyl]-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
• Synonyms: 6-[4-(1-methoxyethyl)phenyl]-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.234013
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 4.550892
• LogD (pH = 7.4): 4.645926
• Log P: 4.647287
• Molar Refractivity: 112.0384 cm^3
• Polarizability: 37.77011 Å^3
• Polar Surface Area: 85.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.44
• LOG S: -5.43
• Polar Surface Area: 85.95 Å^2
• Rotatable Bonds: 5