2-methoxy-4-methyl-6-(piperazin-1-yl)pyrimidine

• ChemBase ID: 803871
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: c1c(nc(nc1N1CCNCC1)OC)C
• Canonical SMILES: COc1nc(cc(n1)C)N1CCNCC1
• InChI: InChI=1S/C10H16N4O/c1-8-7-9(13-10(12-8)15-2)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: BMOUVCVTWVGNNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methyl-6-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 2-methoxy-4-methyl-6-(piperazin-1-yl)pyrimidine
• Synonyms: 2-METHOXY-4-METHYL-6-PIPERAZIN-1-YLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.3001132
• LogD (pH = 7.4): -0.50539136
• Log P: 0.8687934
• Molar Refractivity: 59.2205 cm^3
• Polarizability: 22.137033 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%