2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine

• ChemBase ID: 754125
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)cc(ncn1)OC
• Canonical SMILES: COc1ncnc(c1)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C20H21N3O3/c1-24-17-6-5-14-9-16(4-3-15(14)10-17)18-12-23(7-8-26-18)19-11-20(25-2)22-13-21-19/h3-6,9-11,13,18H,7-8,12H2,1-2H3
• InChIKey: LLWOJVCGMZQJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(6-methoxypyrimidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.5230582
• LogD (pH = 7.4): 3.5857067
• Log P: 3.5865684
• Molar Refractivity: 100.5118 cm^3
• Polarizability: 39.12991 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.55
• LOG S: -4.79
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 4