N-(2-methoxyethyl)-1-methyl-N-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine

• ChemBase ID: 383283
• Molecular Formular: C16H24N4OS
• Molecular Mass: 320.45296
• Monoisotopic Mass: 320.16708241
• SMILES: c1(c2c(nc(n1)C)scc2)N(C1CCN(CC1)C)CCOC
• Canonical SMILES: COCCN(c1nc(C)nc2c1ccs2)C1CCN(CC1)C
• InChI: InChI=1S/C16H24N4OS/c1-12-17-15(14-6-11-22-16(14)18-12)20(9-10-21-3)13-4-7-19(2)8-5-13/h6,11,13H,4-5,7-10H2,1-3H3
• InChIKey: KJQANRYLTRDLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-methyl-N-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-1-methyl-N-{2-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
• Synonyms: N-(2-methoxyethyl)-2-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.56687194
• LogD (pH = 7.4): 1.2872908
• Log P: 2.5118003
• Molar Refractivity: 91.8761 cm^3
• Polarizability: 35.018833 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -2.3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5