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

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

CAS: 1202805-24-0

Formula: C13H22BN3O3

SMILES: COCCNC1=NC=C(C=N1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-8-16-11(17-9-10)15-6-7-18-5/h8-9H,6-7H2,1-5H3,(H,15,16,17)

Composition: C (55.94%), H (7.94%), B (3.87%), N (15.05%), O (17.19%)

Molar Mass: 279.15

Atom Count: 42

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	279.175422
Formal Charge	0
FSP3	0.69
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UTVRNERUNTXJIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.56
Topological Polar Surface Area	65.5
Polarizability	29.59
Ring Count	2
Rotatable Bond Count	5

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