dimethyl[2-({5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidin-2-yl}oxy)ethyl]amine

• ChemBase ID: 800735
• Molecular Formular: C15H26BN3O3
• Molecular Mass: 307.19624
• Monoisotopic Mass: 307.20672211
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(nc1)OCCN(C)C
• Canonical SMILES: CN(CCOc1ncc(cn1)CB1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)9-12-10-17-13(18-11-12)20-8-7-19(5)6/h10-11H,7-9H2,1-6H3
• InChIKey: SMIBUENIPHYPSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-({5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidin-2-yl}oxy)ethyl]amine
• IUPAC Traditional name: dimethyl[2-({5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidin-2-yl}oxy)ethyl]amine
• Synonyms: 2-[2-(2-DIMETHYLAMINOETHOXY)PYRIMIDIN-5-YLMETHYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.791237
• LogD (pH = 7.4): 1.016989
• Log P: 2.1296
• Molar Refractivity: 81.8067 cm^3
• Polarizability: 33.64821 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%