2,4-dimethoxy-6-(2-methoxy-5-methylphenyl)-1,3,5-triazine

• ChemBase ID: 514950
• Molecular Formular: C13H15N3O3
• Molecular Mass: 261.2765
• Monoisotopic Mass: 261.11134136
• SMILES: c1(nc(nc(n1)OC)OC)c1c(ccc(c1)C)OC
• Canonical SMILES: COc1nc(OC)nc(n1)c1cc(C)ccc1OC
• InChI: InChI=1S/C13H15N3O3/c1-8-5-6-10(17-2)9(7-8)11-14-12(18-3)16-13(15-11)19-4/h5-7H,1-4H3
• InChIKey: RTHROINZQNWAFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-(2-methoxy-5-methylphenyl)-1,3,5-triazine
• IUPAC Traditional name: 2,4-dimethoxy-6-(2-methoxy-5-methylphenyl)-1,3,5-triazine
• Synonyms: 2,4-dimethoxy-6-(2-methoxy-5-methylphenyl)-1,3,5-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.3177805
• LogD (pH = 7.4): 3.3177807
• Log P: 3.3177807
• Molar Refractivity: 82.2555 cm^3
• Polarizability: 27.279043 Å^3
• Polar Surface Area: 66.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.26
• LOG S: -3.04
• Polar Surface Area: 66.36 Å^2
• Rotatable Bonds: 4