6,7-dimethylpteridin-4-ol

• ChemBase ID: 114823
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c12nc(c(nc1ncnc2O)C)C
• Canonical SMILES: Cc1nc2c(nc1C)ncnc2O
• InChI: InChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)
• InChIKey: YZZHLQUXFAOLAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethylpteridin-4-ol
• IUPAC Traditional name: 6,7-dimethylpteridin-4-ol
• Synonyms: 6,7-Dimethyl-pteridin-4-ol

Database IDs

• CAS Number: 14684-54-9
• MDL Number: MFCD00023905
• PubChem SID: 162100023
• PubChem CID: 5355832

CALCULATED PROPERTIES

• Acid pKa: 10.555374
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.25419402
• LogD (pH = 7.4): 0.25390646
• Log P: 0.2542051
• Molar Refractivity: 47.1649 cm^3
• Polarizability: 17.763123 Å^3
• Polar Surface Area: 71.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.12159

Product Information

• Purity: 95+%