2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol

2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol

CAS: 1319255-87-2

Formula: C13H21BN2O3

SMILES: CC(C)(O)C1=NC=C(C=N1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]propan-2-ol

InChI: InChI=1S/C13H21BN2O3/c1-11(2,17)10-15-7-9(8-16-10)14-18-12(3,4)13(5,6)19-14/h7-8,17H,1-6H3

Composition: C (59.12%), H (8.01%), B (4.09%), N (10.61%), O (18.17%)

Molar Mass: 264.13

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.164523
Formal Charge	0
FSP3	0.69
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JBKQHCAUZJBAND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.91
Topological Polar Surface Area	64.47
Polarizability	28.36
Ring Count	2
Rotatable Bond Count	2

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