5,6-dimethylpyrimidin-4-amine

• ChemBase ID: 309185
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(c(ncnc1C)N)C
• Canonical SMILES: Cc1c(C)ncnc1N
• InChI: InChI=1S/C6H9N3/c1-4-5(2)8-3-9-6(4)7/h3H,1-2H3,(H2,7,8,9)
• InChIKey: SMPCNKPYFMZJMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 5,6-dimethylpyrimidin-4-amine
• Synonyms: 5,6-dimethyl-4-pyrimidinamine

Database IDs

• CAS Number: 54568-12-6
• MDL Number: MFCD09909808

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17284314
• LogD (pH = 7.4): 0.44173807
• Log P: 0.4600586
• Molar Refractivity: 37.3689 cm^3
• Polarizability: 13.203849 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%