N-[2-(4,6-dihydroxypyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide

• ChemBase ID: 521174
• Molecular Formular: C15H24N4O3
• Molecular Mass: 308.37606
• Monoisotopic Mass: 308.18484065
• SMILES: n1c(nc(cc1O)O)CCNC(=O)CC1CCN(CC1)CC
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCCc1nc(O)cc(n1)O
• InChI: InChI=1S/C15H24N4O3/c1-2-19-7-4-11(5-8-19)9-13(20)16-6-3-12-17-14(21)10-15(22)18-12/h10-11H,2-9H2,1H3,(H,16,20)(H2,17,18,21,22)
• InChIKey: ZGVDQJWPDVJVID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dihydroxypyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(4,6-dihydroxypyrimidin-2-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
• Synonyms: N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -1.76
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 3
• Log P: -1.17

JChem

• Molar Refractivity: 84.4884 cm^3
• Polarizability: 32.051086 Å^3
• Polar Surface Area: 98.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 10.984611
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.9143112
• LogD (pH = 7.4): -0.27472162
• Log P: 1.3726836