N-ethyl-4-{[2-(2-methoxyphenyl)ethyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 395133
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(c(c2c(s1)ncnc2NCCc1c(OC)cccc1)C)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1sc2c(c1C)c(NCCc1ccccc1OC)ncn2
• InChI: InChI=1S/C19H22N4O2S/c1-4-20-18(24)16-12(2)15-17(22-11-23-19(15)26-16)21-10-9-13-7-5-6-8-14(13)25-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)(H,21,22,23)
• InChIKey: GFTYJLSONGKJCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.634448
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.2913437
• LogD (pH = 7.4): 3.2928865
• Log P: 3.292906
• Molar Refractivity: 105.9021 cm^3
• Polarizability: 39.212204 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.82
• LOG S: -5.51
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 5