4-(cyclopentylamino)-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 523046
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: c12c(c(sc1ncnc2NC1CCCC1)C(=O)NCC)C
• Canonical SMILES: CCNC(=O)c1sc2c(c1C)c(ncn2)NC1CCCC1
• InChI: InChI=1S/C15H20N4OS/c1-3-16-14(20)12-9(2)11-13(17-8-18-15(11)21-12)19-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,16,20)(H,17,18,19)
• InChIKey: ZKMWLHIQDVLHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylamino)-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• IUPAC Traditional name: 4-(cyclopentylamino)-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
• Synonyms: 4-(cyclopentylamino)-N-ethyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.633719
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.790667
• LogD (pH = 7.4): 2.7921262
• Log P: 2.792145
• Molar Refractivity: 86.4845 cm^3
• Polarizability: 31.97885 Å^3
• Polar Surface Area: 66.91 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: 3.27
• LOG S: -4.7
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 3