6-methoxy-7H-purine

• ChemBase ID: 103395
• Molecular Formular: C6H6N4O
• Molecular Mass: 150.13804
• Monoisotopic Mass: 150.05416083
• SMILES: COc1ncnc2c1[nH]cn2
• Canonical SMILES: COc1ncnc2c1[nH]cn2
• InChI: InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
• InChIKey: GOILPRCCOREWQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-7H-purine
• IUPAC Traditional name: 6-methoxy-7H-purine
• Synonyms: 6-Methoxypurine; 6-METHOXYPURINE

Database IDs

• CAS Number: 1074-89-1
• EC Number: 214-047-1
• MDL Number: MFCD00005574
• PubChem SID: 162091304
• PubChem CID: 70632

CALCULATED PROPERTIES

• Acid pKa: 8.656257
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.046237268
• LogD (pH = 7.4): 0.076112926
• Log P: 0.09778446
• Molar Refractivity: 39.9823 cm^3
• Polarizability: 14.7614565 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C6H6N4O

DETAILS

MP Biomedicals - 02151631

Crystalline
Purity: 99+%
Inhibitor of phosphoribosyltransferase.