4,6-dimethylpyrimidin-5-amine

• ChemBase ID: 286899
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1c(C)ncnc1C
• Canonical SMILES: Cc1ncnc(c1N)C
• InChI: InChI=1S/C6H9N3/c1-4-6(7)5(2)9-3-8-4/h3H,7H2,1-2H3
• InChIKey: NBUHTTJGQKIBMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 90856-77-2
• PubChem SID: 180672430
• PubChem CID: 15585338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.52283293
• LogD (pH = 7.4): -0.5165311
• Log P: -0.51645017
• Molar Refractivity: 36.6057 cm^3
• Polarizability: 13.207694 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%