4,6-dimethoxypyrimidin-5-amine

• ChemBase ID: 287548
• Molecular Formular: C6H9N3O2
• Molecular Mass: 155.15456
• Monoisotopic Mass: 155.06947654
• SMILES: COc1ncnc(OC)c1N
• Canonical SMILES: COc1ncnc(c1N)OC
• InChI: InChI=1S/C6H9N3O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,7H2,1-2H3
• InChIKey: SYIABKXOJVXKDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethoxypyrimidin-5-amine
• IUPAC Traditional name: 4,6-dimethoxypyrimidin-5-amine
• Synonyms: 4,6-Dimethoxypyrimidin-5-amine

Database IDs

• CAS Number: 15846-15-8
• MDL Number: MFCD00194013
• PubChem SID: 180673079
• PubChem CID: 2817979

CALCULATED PROPERTIES

• Acid pKa: 18.485386
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.09400003
• LogD (pH = 7.4): 0.09437722
• Log P: 0.09438203
• Molar Refractivity: 40.9761 cm^3
• Polarizability: 14.793146 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%