5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

• ChemBase ID: 253158
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: c12c(oc(c1C)C)ncnc2N
• Canonical SMILES: Cc1oc2c(c1C)c(N)ncn2
• InChI: InChI=1S/C8H9N3O/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H2,9,10,11)
• InChIKey: BCCQRVLPINNELE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,6-dimethylfuro[2,3-d]pyrimidin-4-amine
• Synonyms: 5,6-dimethylfuro[2,3-d]pyrimidin-4-amine

Database IDs

• CAS Number: 5117-94-2
• MDL Number: MFCD01002271
• PubChem SID: 164309068
• PubChem CID: 290219

CALCULATED PROPERTIES

• Acid pKa: 19.9502
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0545084
• LogD (pH = 7.4): 1.054831
• Log P: 1.0548352
• Molar Refractivity: 46.7208 cm^3
• Polarizability: 16.930391 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.21

Product Information

• Purity: 95%