4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,6-dimethylpyrimidin-2-amine

• ChemBase ID: 631172
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1c(N2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)cc(nc1NC)C
• Canonical SMILES: CNc1nc(cc(n1)C)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C21H24N4O2/c1-14-10-20(24-21(22-2)23-14)25-8-9-27-19(13-25)17-5-4-16-12-18(26-3)7-6-15(16)11-17/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,22,23,24)
• InChIKey: GHBWFXFGINTCOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,6-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 4-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-N,6-dimethylpyrimidin-2-amine
• Synonyms: 4-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-N,6-dimethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.99008
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6392072
• LogD (pH = 7.4): 2.8763108
• Log P: 3.4327164
• Molar Refractivity: 108.4664 cm^3
• Polarizability: 41.36124 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.95
• LOG S: -4.38
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4