2-(dimethylamino)-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(3-methylphenyl)acetamide

• ChemBase ID: 406318
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1c(cc(nc1C)CCNC(=O)C(c1cc(ccc1)C)N(C)C)O
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NCCc1cc(O)nc(n1)C)N(C)C
• InChI: InChI=1S/C18H24N4O2/c1-12-6-5-7-14(10-12)17(22(3)4)18(24)19-9-8-15-11-16(23)21-13(2)20-15/h5-7,10-11,17H,8-9H2,1-4H3,(H,19,24)(H,20,21,23)
• InChIKey: VDIQQKUAJMBSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(3-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(3-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-(3-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.008567
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.69242823
• LogD (pH = 7.4): 2.2699876
• Log P: 2.551732
• Molar Refractivity: 94.5636 cm^3
• Polarizability: 36.046883 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.35
• LOG S: -3.6
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 6