4-(5-bromopyrimidin-2-yl)-2,6-dimethylmorpholine

• ChemBase ID: 812611
• Molecular Formular: C10H14BrN3O
• Molecular Mass: 272.14166
• Monoisotopic Mass: 271.03202408
• SMILES: C1C(OC(CN1c1ncc(cn1)Br)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1ncc(cn1)Br
• InChI: InChI=1S/C10H14BrN3O/c1-7-5-14(6-8(2)15-7)10-12-3-9(11)4-13-10/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: JISNJLJIMPADEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromopyrimidin-2-yl)-2,6-dimethylmorpholine
• IUPAC Traditional name: 4-(5-bromopyrimidin-2-yl)-2,6-dimethylmorpholine
• Synonyms: 4-(5-BROMO-PYRIMIDIN-2-YL)-2,6-DIMETHYL-MORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2197895
• LogD (pH = 7.4): 2.2199652
• Log P: 2.2199676
• Molar Refractivity: 62.6318 cm^3
• Polarizability: 23.579245 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%