2-{7-methylthieno[3,2-d]pyrimidin-4-yl}-2,8-diazaspiro[4.5]decane

• ChemBase ID: 548730
• Molecular Formular: C15H20N4S
• Molecular Mass: 288.4111
• Monoisotopic Mass: 288.14086766
• SMILES: c12c(N3CC4(CC3)CCNCC4)ncnc2c(cs1)C
• Canonical SMILES: Cc1csc2c1ncnc2N1CCC2(C1)CCNCC2
• InChI: InChI=1S/C15H20N4S/c1-11-8-20-13-12(11)17-10-18-14(13)19-7-4-15(9-19)2-5-16-6-3-15/h8,10,16H,2-7,9H2,1H3
• InChIKey: WVYFWGDHKIRFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-methylthieno[3,2-d]pyrimidin-4-yl}-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-{7-methylthieno[3,2-d]pyrimidin-4-yl}-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.69973236
• LogD (pH = 7.4): -0.21883486
• Log P: 2.5363603
• Molar Refractivity: 83.1146 cm^3
• Polarizability: 32.410557 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -2.95
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1