2-amino-7-methylpteridin-4-ol

• ChemBase ID: 184148
• Molecular Formular: C7H7N5O
• Molecular Mass: 177.16338
• Monoisotopic Mass: 177.06505987
• SMILES: c12nc(nc(c1ncc(n2)C)O)N
• Canonical SMILES: Cc1cnc2c(n1)nc(nc2O)N
• InChI: InChI=1S/C7H7N5O/c1-3-2-9-4-5(10-3)11-7(8)12-6(4)13/h2H,1H3,(H3,8,10,11,12,13)
• InChIKey: PCUYCAHGIFPOSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-7-methylpteridin-4-ol
• IUPAC Traditional name: 2-amino-7-methylpteridin-4-ol

Database IDs

• PubChem SID: 164240058
• PubChem CID: 5355063

CALCULATED PROPERTIES

• Acid pKa: 10.53899
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.030341482
• LogD (pH = 7.4): -0.027654061
• Log P: -0.02730499
• Molar Refractivity: 47.2198 cm^3
• Polarizability: 17.160376 Å^3
• Polar Surface Area: 97.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds