2-tert-butyl-5-chloropyrimidine

• ChemBase ID: 803801
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: c1(cnc(nc1)C(C)(C)C)Cl
• Canonical SMILES: CC(c1ncc(cn1)Cl)(C)C
• InChI: InChI=1S/C8H11ClN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3
• InChIKey: OSEOUUXZEQHQBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-5-chloropyrimidine
• IUPAC Traditional name: 2-tert-butyl-5-chloropyrimidine
• Synonyms: 2-TERT-BUTYL-5-CHLOROPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.894443
• LogD (pH = 7.4): 2.8944564
• Log P: 2.8944564
• Molar Refractivity: 45.8539 cm^3
• Polarizability: 17.727655 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%