2-(dimethylamino)-N-[(6-hydroxypyrimidin-4-yl)methyl]-2-(4-methylphenyl)acetamide

• ChemBase ID: 534608
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: C(=O)(C(c1ccc(cc1)C)N(C)C)NCc1cc(ncn1)O
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCc1ncnc(c1)O)C
• InChI: InChI=1S/C16H20N4O2/c1-11-4-6-12(7-5-11)15(20(2)3)16(22)17-9-13-8-14(21)19-10-18-13/h4-8,10,15H,9H2,1-3H3,(H,17,22)(H,18,19,21)
• InChIKey: SPAQPEPUYYTGPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[(6-hydroxypyrimidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[(6-hydroxypyrimidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.668334
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.1671719
• LogD (pH = 7.4): 1.4168772
• Log P: 1.7080638
• Molar Refractivity: 85.2398 cm^3
• Polarizability: 32.440723 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.14
• LOG S: -2.82
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 5