2,4-dimethylpyrimidin-5-amine

• ChemBase ID: 288426
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1cnc(C)nc1C
• Canonical SMILES: Cc1ncc(c(n1)C)N
• InChI: InChI=1S/C6H9N3/c1-4-6(7)3-8-5(2)9-4/h3H,7H2,1-2H3
• InChIKey: TULVCIOMQCBNRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpyrimidin-5-amine
• IUPAC Traditional name: 2,4-dimethylpyrimidin-5-amine
• Synonyms: 2,4-Dimethylpyrimidin-5-amine

Database IDs

• CAS Number: 35733-53-0
• MDL Number: MFCD09608073
• PubChem SID: 180673957
• PubChem CID: 13981970

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.03221945
• LogD (pH = 7.4): -0.02535064
• Log P: -0.025262346
• Molar Refractivity: 36.6386 cm^3
• Polarizability: 13.208499 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%