2-methyl-4-(propan-2-yl)-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

• ChemBase ID: 816769
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(nc(nc(c1)C(C)C)C)N1CC(OCc2ncccc2)CCC1
• Canonical SMILES: Cc1nc(cc(n1)C(C)C)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C19H26N4O/c1-14(2)18-11-19(22-15(3)21-18)23-10-6-8-17(12-23)24-13-16-7-4-5-9-20-16/h4-5,7,9,11,14,17H,6,8,10,12-13H2,1-3H3
• InChIKey: MKDXVCKWCGXMMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(propan-2-yl)-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• IUPAC Traditional name: 4-isopropyl-2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
• Synonyms: 4-isopropyl-2-methyl-6-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5668328
• LogD (pH = 7.4): 3.6659229
• Log P: 3.7377636
• Molar Refractivity: 96.0699 cm^3
• Polarizability: 36.58795 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: 4
• H Donor: 0
• Log P: 3.37
• LOG S: -3.15
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5