4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine

• ChemBase ID: 804827
• Molecular Formular: C14H22BN3O3
• Molecular Mass: 291.15378
• Monoisotopic Mass: 291.17542198
• SMILES: CC1(C)OB(OC1(C)C)c1ccnc(n1)N1CCOCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccnc(n1)N1CCOCC1
• InChI: InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-5-6-16-12(17-11)18-7-9-19-10-8-18/h5-6H,7-10H2,1-4H3
• InChIKey: MMKWDVWMTIBDDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
• IUPAC Traditional name: 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
• Synonyms: 2-MORPHOLINOPYRIMIDINE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.0678883
• LogD (pH = 7.4): 3.0679
• Log P: 3.0679
• Molar Refractivity: 76.14 cm^3
• Polarizability: 30.705105 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%