thieno[3,2-d]pyrimidin-4-amine

• ChemBase ID: 267712
• Molecular Formular: C6H5N3S
• Molecular Mass: 151.189
• Monoisotopic Mass: 151.02041818
• SMILES: c12c(ncnc2ccs1)N
• Canonical SMILES: Nc1ncnc2c1scc2
• InChI: InChI=1S/C6H5N3S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H,(H2,7,8,9)
• InChIKey: QIZMFTNGJPBSBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09834952
• PubChem SID: 164323622
• PubChem CID: 11506485

CALCULATED PROPERTIES

• Acid pKa: 18.928965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0643126
• LogD (pH = 7.4): 1.0769782
• Log P: 1.0771421
• Molar Refractivity: 40.7043 cm^3
• Polarizability: 15.848463 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.103

Product Information

• Purity: 95%