6-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine

• ChemBase ID: 785844
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: N1(C(CC(CC1(C)C)Nc1ncnc(c1)OC)(C)C)C
• Canonical SMILES: COc1ncnc(c1)NC1CC(C)(C)N(C(C1)(C)C)C
• InChI: InChI=1S/C15H26N4O/c1-14(2)8-11(9-15(3,4)19(14)5)18-12-7-13(20-6)17-10-16-12/h7,10-11H,8-9H2,1-6H3,(H,16,17,18)
• InChIKey: PHNCYWFJYDSTTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine
• Synonyms: 6-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.795843
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5064654
• LogD (pH = 7.4): -0.2829081
• Log P: 1.9748669
• Molar Refractivity: 83.5714 cm^3
• Polarizability: 31.40632 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.42
• LOG S: -3.14
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3