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

• ChemBase ID: 416654
• Molecular Formular: C19H24N6S
• Molecular Mass: 368.49906
• Monoisotopic Mass: 368.1783158
• SMILES: c12c(sc(c2C)C)ncnc1N1CCC(CC1)NCCc1nccnc1
• Canonical SMILES: Cc1sc2c(c1C)c(ncn2)N1CCC(CC1)NCCc1cnccn1
• InChI: InChI=1S/C19H24N6S/c1-13-14(2)26-19-17(13)18(23-12-24-19)25-9-4-15(5-10-25)21-6-3-16-11-20-7-8-22-16/h7-8,11-12,15,21H,3-6,9-10H2,1-2H3
• InChIKey: VFKHXWPIWZOJLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(pyrazin-2-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-{5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}-N-[2-(pyrazin-2-yl)ethyl]piperidin-4-amine
• Synonyms: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrazin-2-ylethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 0.14965782
• Log P: 2.406377
• Molar Refractivity: 105.487 cm^3
• Polarizability: 40.12121 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.7975168

供应商提供(Chembridge)

• Log P: 1.54
• LOG S: -2.19
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 1