1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

• ChemBase ID: 574157
• Molecular Formular: C19H26N6S
• Molecular Mass: 370.51494
• Monoisotopic Mass: 370.19396586
• SMILES: c12c(sc(c2C)C)ncnc1N1CCC(N(Cc2cn(nc2)C)C)CC1
• Canonical SMILES: CN(C1CCN(CC1)c1ncnc2c1c(C)c(s2)C)Cc1cnn(c1)C
• InChI: InChI=1S/C19H26N6S/c1-13-14(2)26-19-17(13)18(20-12-21-19)25-7-5-16(6-8-25)23(3)10-15-9-22-24(4)11-15/h9,11-12,16H,5-8,10H2,1-4H3
• InChIKey: FWWUCMDTEYFGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
• Synonyms: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.27900705
• LogD (pH = 7.4): 1.981271
• Log P: 3.3341453
• Molar Refractivity: 119.8217 cm^3
• Polarizability: 40.55649 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.37
• LOG S: -2.92
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 4