4-[4-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine

• ChemBase ID: 804820
• Molecular Formular: C14H21BClN3O3
• Molecular Mass: 325.59884
• Monoisotopic Mass: 325.13644963
• SMILES: CC1(C)OB(OC1(C)C)c1cc(nc(n1)N1CCOCC1)Cl
• Canonical SMILES: Clc1cc(nc(n1)N1CCOCC1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H21BClN3O3/c1-13(2)14(3,4)22-15(21-13)10-9-11(16)18-12(17-10)19-5-7-20-8-6-19/h9H,5-8H2,1-4H3
• InChIKey: QDVYUSZSDWXDPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
• IUPAC Traditional name: 4-[4-chloro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]morpholine
• Synonyms: 2-MORPHOLINO-6-CHLOROPYRIMIDINE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.9565988
• LogD (pH = 7.4): 3.9566
• Log P: 3.9566
• Molar Refractivity: 82.0061 cm^3
• Polarizability: 32.68099 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%