2-methylthieno[3,2-d]pyrimidin-4-ol

• ChemBase ID: 287795
• Molecular Formular: C7H6N2OS
• Molecular Mass: 166.20034
• Monoisotopic Mass: 166.02008382
• SMILES: Oc1c2c(ccs2)nc(C)n1
• Canonical SMILES: Cc1nc(O)c2c(n1)ccs2
• InChI: InChI=1S/C7H6N2OS/c1-4-8-5-2-3-11-6(5)7(10)9-4/h2-3H,1H3,(H,8,9,10)
• InChIKey: IAAFTUOIPKKJAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 18678-13-2
• MDL Number: MFCD09834967
• PubChem SID: 180673326
• PubChem CID: 22674469

CALCULATED PROPERTIES

• Acid pKa: 11.8480835
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1480575
• LogD (pH = 7.4): 2.148046
• Log P: 2.148061
• Molar Refractivity: 42.6092 cm^3
• Polarizability: 17.09574 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%