{[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl}[2-(pyridin-3-yloxy)propyl]amine

• ChemBase ID: 612397
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: c1(ncc(cn1)CNCC(Oc1cnccc1)C)c1cc2c(cc1)cccc2
• Canonical SMILES: CC(Oc1cccnc1)CNCc1cnc(nc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C23H22N4O/c1-17(28-22-7-4-10-24-16-22)12-25-13-18-14-26-23(27-15-18)21-9-8-19-5-2-3-6-20(19)11-21/h2-11,14-17,25H,12-13H2,1H3
• InChIKey: VIOOFPBKRRVNCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl}[2-(pyridin-3-yloxy)propyl]amine
• IUPAC Traditional name: {[2-(naphthalen-2-yl)pyrimidin-5-yl]methyl}[2-(pyridin-3-yloxy)propyl]amine
• Synonyms: N-{[2-(2-naphthyl)pyrimidin-5-yl]methyl}-2-(pyridin-3-yloxy)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6969434
• LogD (pH = 7.4): 2.4321058
• Log P: 3.6983283
• Molar Refractivity: 120.6457 cm^3
• Polarizability: 44.679634 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.61
• LOG S: -3.97
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 7