N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 815721
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1cnc(nc1)N(C)C
• Canonical SMILES: CN(c1ncccn1)C
• InChI: InChI=1S/C6H9N3/c1-9(2)6-7-4-3-5-8-6/h3-5H,1-2H3
• InChIKey: OUMGIYIBWRLOAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: N,N-dimethylpyrimidin-2-amine
• Synonyms: N,N-dimethylpyrimidin-2-amine

Database IDs

• CAS Number: 5621/2/3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8339191
• LogD (pH = 7.4): 0.83653194
• Log P: 0.8365653
• Molar Refractivity: 37.0969 cm^3
• Polarizability: 13.359564 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%