1-[2-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)ethyl]imidazolidin-2-one

• ChemBase ID: 371846
• Molecular Formular: C12H15N5OS
• Molecular Mass: 277.3454
• Monoisotopic Mass: 277.09973113
• SMILES: c12c(nc(nc1ccs2)C)NCCN1C(=O)NCC1
• Canonical SMILES: O=C1NCCN1CCNc1nc(C)nc2c1scc2
• InChI: InChI=1S/C12H15N5OS/c1-8-15-9-2-7-19-10(9)11(16-8)13-3-5-17-6-4-14-12(17)18/h2,7H,3-6H2,1H3,(H,14,18)(H,13,15,16)
• InChIKey: NDKUREYFVKWLCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)ethyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[2-({2-methylthieno[3,2-d]pyrimidin-4-yl}amino)ethyl]imidazolidin-2-one
• Synonyms: 1-{2-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.638388
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.99862593
• LogD (pH = 7.4): 1.088364
• Log P: 1.0896381
• Molar Refractivity: 74.7168 cm^3
• Polarizability: 28.458172 Å^3
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.12
• LOG S: -2.3
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 4