ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

• ChemBase ID: 253639
• Molecular Formular: C11H13N3O2S
• Molecular Mass: 251.30482
• Monoisotopic Mass: 251.07284767
• SMILES: c1(c(c2c(s1)nc(nc2C)C)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1sc2c(c1N)c(C)nc(n2)C
• InChI: InChI=1S/C11H13N3O2S/c1-4-16-11(15)9-8(12)7-5(2)13-6(3)14-10(7)17-9/h4,12H2,1-3H3
• InChIKey: YGBPOGOJXSVURS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
• IUPAC Traditional name: ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
• Synonyms: ethyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

Database IDs

• MDL Number: MFCD09376366
• PubChem SID: 164309549
• PubChem CID: 16227943

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4166253
• LogD (pH = 7.4): 2.4167867
• Log P: 2.4167888
• Molar Refractivity: 66.4893 cm^3
• Polarizability: 25.034698 Å^3
• Polar Surface Area: 78.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.863

Product Information

• Purity: 95%