N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide

• ChemBase ID: 317058
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n1c(cc(nc1C)CN1CC=C(CNC(=O)C)CC1)O
• Canonical SMILES: CC(=O)NCC1=CCN(CC1)Cc1cc(O)nc(n1)C
• InChI: InChI=1S/C14H20N4O2/c1-10-16-13(7-14(20)17-10)9-18-5-3-12(4-6-18)8-15-11(2)19/h3,7H,4-6,8-9H2,1-2H3,(H,15,19)(H,16,17,20)
• InChIKey: KZOZNMUNBHBGIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide
• IUPAC Traditional name: N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl}methyl)acetamide
• Synonyms: N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.95946
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.3195826
• LogD (pH = 7.4): 0.35849354
• Log P: 0.37990403
• Molar Refractivity: 77.9242 cm^3
• Polarizability: 29.259356 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.23
• LOG S: -2.33
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4