6-ethyl-N-[2-(quinolin-8-yloxy)ethyl]pyrimidin-4-amine

• ChemBase ID: 420667
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: n1c(cc(nc1)CC)NCCOc1c2ncccc2ccc1
• Canonical SMILES: CCc1ncnc(c1)NCCOc1cccc2c1nccc2
• InChI: InChI=1S/C17H18N4O/c1-2-14-11-16(21-12-20-14)18-9-10-22-15-7-3-5-13-6-4-8-19-17(13)15/h3-8,11-12H,2,9-10H2,1H3,(H,18,20,21)
• InChIKey: ABHSZGTWKUNREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-[2-(quinolin-8-yloxy)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-N-[2-(quinolin-8-yloxy)ethyl]pyrimidin-4-amine
• Synonyms: 6-ethyl-N-[2-(quinolin-8-yloxy)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.207752
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.2218258
• LogD (pH = 7.4): 2.7374456
• Log P: 2.7505815
• Molar Refractivity: 86.9215 cm^3
• Polarizability: 33.86816 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.96
• LOG S: -3.88
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6