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N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

CAS: 904326-88-1

Formula: C11H18BN3O2

SMILES: CNC1=NC=C(C=N1)B1OC(C)(C)C(C)(C)O1

IUPAC: N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

InChI: InChI=1S/C11H18BN3O2/c1-10(2)11(3,4)17-12(16-10)8-6-14-9(13-5)15-7-8/h6-7H,1-5H3,(H,13,14,15)

Composition: C (56.20%), H (7.72%), B (4.60%), N (17.87%), O (13.61%)

Molar Mass: 235.09

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.149207
Formal Charge 0
FSP3 0.64
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey QDOXNCAIXITTKA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.52
Topological Polar Surface Area 56.27
Polarizability 25.2
Ring Count 2
Rotatable Bond Count 2

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