{1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl}methanol

• ChemBase ID: 410615
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: n1c(nc(cc1N1CC(CO)(CCC1)C)CC)N(C)C
• Canonical SMILES: OCC1(C)CCCN(C1)c1cc(CC)nc(n1)N(C)C
• InChI: InChI=1S/C15H26N4O/c1-5-12-9-13(17-14(16-12)18(3)4)19-8-6-7-15(2,10-19)11-20/h9,20H,5-8,10-11H2,1-4H3
• InChIKey: UOGOAJHHCNMUIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl}methanol
• IUPAC Traditional name: {1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl}methanol
• Synonyms: {1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.078997
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.99181193
• LogD (pH = 7.4): 2.310429
• Log P: 2.6835413
• Molar Refractivity: 83.8438 cm^3
• Polarizability: 30.882711 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.77
• LOG S: -3.6
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 4