2-cyclopropyl-4-(piperazin-1-yl)pyrimidine

• ChemBase ID: 803827
• Molecular Formular: C11H16N4
• Molecular Mass: 204.27154
• Monoisotopic Mass: 204.13749653
• SMILES: c1c(nc(nc1)C1CC1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccnc(n1)C1CC1
• InChI: InChI=1S/C11H16N4/c1-2-9(1)11-13-4-3-10(14-11)15-7-5-12-6-8-15/h3-4,9,12H,1-2,5-8H2
• InChIKey: NRKCRROKAPZYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-4-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 2-cyclopropyl-4-(piperazin-1-yl)pyrimidine
• Synonyms: 2-CYCLOPROPYL-4-PIPERAZIN-1-YLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9750913
• LogD (pH = 7.4): 0.1263184
• Log P: 1.5180852
• Molar Refractivity: 60.2434 cm^3
• Polarizability: 22.554457 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%