N-(2-methoxyethyl)-5-methyl-4-[(2-phenylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

• ChemBase ID: 351749
• Molecular Formular: C19H22N4O2S
• Molecular Mass: 370.46858
• Monoisotopic Mass: 370.14634696
• SMILES: c1(c(c2c(s1)ncnc2NCCc1ccccc1)C)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1sc2c(c1C)c(NCCc1ccccc1)ncn2
• InChI: InChI=1S/C19H22N4O2S/c1-13-15-17(20-9-8-14-6-4-3-5-7-14)22-12-23-19(15)26-16(13)18(24)21-10-11-25-2/h3-7,12H,8-11H2,1-2H3,(H,21,24)(H,20,22,23)
• InChIKey: HXUCPEBNDLFOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-5-methyl-4-[(2-phenylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-5-methyl-4-[(2-phenylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
• Synonyms: N-(2-methoxyethyl)-5-methyl-4-[(2-phenylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.598652
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.045233
• LogD (pH = 7.4): 3.0467741
• Log P: 3.046794
• Molar Refractivity: 105.7338 cm^3
• Polarizability: 39.22787 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.43
• LOG S: -5.29
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 7