[(2-methoxypyrimidin-5-yl)methyl](methyl)(quinolin-5-ylmethyl)amine

• ChemBase ID: 485080
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: c1(ncc(CN(Cc2c3c(nccc3)ccc2)C)cn1)OC
• Canonical SMILES: COc1ncc(cn1)CN(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C17H18N4O/c1-21(11-13-9-19-17(22-2)20-10-13)12-14-5-3-7-16-15(14)6-4-8-18-16/h3-10H,11-12H2,1-2H3
• InChIKey: RYFYTDGPLXZTRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxypyrimidin-5-yl)methyl](methyl)(quinolin-5-ylmethyl)amine
• IUPAC Traditional name: [(2-methoxypyrimidin-5-yl)methyl](methyl)(quinolin-5-ylmethyl)amine
• Synonyms: 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-(quinolin-5-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.12130934
• LogD (pH = 7.4): 1.6489141
• Log P: 2.3943748
• Molar Refractivity: 86.2081 cm^3
• Polarizability: 34.347782 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.13
• LOG S: -2.15
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5