N-methylthieno[3,2-d]pyrimidin-4-amine

• ChemBase ID: 278540
• Molecular Formular: C7H7N3S
• Molecular Mass: 165.21558
• Monoisotopic Mass: 165.03606824
• SMILES: c12c(ncnc2ccs1)NC
• Canonical SMILES: CNc1ncnc2c1scc2
• InChI: InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
• InChIKey: AZPMALJVBUIZFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylthieno[3,2-d]pyrimidin-4-amine
• IUPAC Traditional name: N-methylthieno[3,2-d]pyrimidin-4-amine
• Synonyms: N-methylthieno[3,2-d]pyrimidin-4-amine

Database IDs

• MDL Number: MFCD11641728
• PubChem SID: 164334450
• PubChem CID: 23273491

CALCULATED PROPERTIES

• Acid pKa: 18.99905
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3684492
• LogD (pH = 7.4): 1.3787137
• Log P: 1.3788463
• Molar Refractivity: 46.1977 cm^3
• Polarizability: 17.688982 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.927

Product Information

• Purity: 95%