1-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide

• ChemBase ID: 669343
• Molecular Formular: C13H16N4OS
• Molecular Mass: 276.35734
• Monoisotopic Mass: 276.10448215
• SMILES: c1(c2c(nc(n1)C)ccs2)NC1(C(=O)N)CCCC1
• Canonical SMILES: Cc1nc(NC2(CCCC2)C(=O)N)c2c(n1)ccs2
• InChI: InChI=1S/C13H16N4OS/c1-8-15-9-4-7-19-10(9)11(16-8)17-13(12(14)18)5-2-3-6-13/h4,7H,2-3,5-6H2,1H3,(H2,14,18)(H,15,16,17)
• InChIKey: OAZOMRMIFJORCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)cyclopentane-1-carboxamide
• Synonyms: 1-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.532538
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9543848
• LogD (pH = 7.4): 2.0248344
• Log P: 2.0258124
• Molar Refractivity: 75.1819 cm^3
• Polarizability: 29.147463 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -3.15
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3