6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine

• ChemBase ID: 853448
• Molecular Formular: C13H22N4O2
• Molecular Mass: 266.33938
• Monoisotopic Mass: 266.17427596
• SMILES: c1(nc(nc(c1)N)C)N1CCC(CC1)OCCOC
• Canonical SMILES: COCCOC1CCN(CC1)c1cc(N)nc(n1)C
• InChI: InChI=1S/C13H22N4O2/c1-10-15-12(14)9-13(16-10)17-5-3-11(4-6-17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H2,14,15,16)
• InChIKey: RVULUJBIAVNQIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine
• Synonyms: 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.2699897
• LogD (pH = 7.4): 0.0783378
• Log P: 1.0243281
• Molar Refractivity: 76.6217 cm^3
• Polarizability: 27.988052 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.11
• LOG S: -1.14
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 5