4,5-dimethylpyrimidin-2-amine

• ChemBase ID: 308231
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(ncc(c1C)C)N
• Canonical SMILES: Nc1ncc(c(n1)C)C
• InChI: InChI=1S/C6H9N3/c1-4-3-8-6(7)9-5(4)2/h3H,1-2H3,(H2,7,8,9)
• InChIKey: IELZPOFKHRZRGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1193-74-4
• MDL Number: MFCD00151982

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.51708907
• LogD (pH = 7.4): 0.5440319
• Log P: 0.5443871
• Molar Refractivity: 37.0014 cm^3
• Polarizability: 13.207081 Å^3
• Polar Surface Area: 51.8 Å^2