4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-amine

• ChemBase ID: 250594
• Molecular Formular: C14H17N3O2S
• Molecular Mass: 291.36868
• Monoisotopic Mass: 291.1041478
• SMILES: c1(c(c2c(s1)nc(cc2C)C)N)C(=O)N1CCOCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)sc(c2N)C(=O)N1CCOCC1
• InChI: InChI=1S/C14H17N3O2S/c1-8-7-9(2)16-13-10(8)11(15)12(20-13)14(18)17-3-5-19-6-4-17/h7H,3-6,15H2,1-2H3
• InChIKey: LUGYGQDIXNALNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-amine
• IUPAC Traditional name: 4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-amine
• Synonyms: 4,6-dimethyl-2-(morpholin-4-ylcarbonyl)thieno[2,3-b]pyridin-3-amine

Database IDs

• MDL Number: MFCD01962581
• PubChem SID: 164306504
• PubChem CID: 671411

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6767987
• LogD (pH = 7.4): 1.6768565
• Log P: 1.6768572
• Molar Refractivity: 79.2573 cm^3
• Polarizability: 29.793268 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): 1.309

Product Information

• Purity: 95%