N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

• ChemBase ID: 802048
• Molecular Formular: C12H20BN3O2
• Molecular Mass: 249.1171
• Monoisotopic Mass: 249.1648573
• SMILES: c1c(nc(nc1)N(C)C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CN(c1nccc(n1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-8-14-10(15-9)16(5)6/h7-8H,1-6H3
• InChIKey: IWYQUIOWDYXXQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
• Synonyms: N,N-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4104846
• LogD (pH = 7.4): 3.4104998
• Log P: 3.4105
• Molar Refractivity: 67.0655 cm^3
• Polarizability: 27.043354 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%