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

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

CAS: 1218791-48-0

Formula: C14H24BN3O2

SMILES: CCCCNC1=NC=C(C=N1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H24BN3O2/c1-6-7-8-16-12-17-9-11(10-18-12)15-19-13(2,3)14(4,5)20-15/h9-10H,6-8H2,1-5H3,(H,16,17,18)

Composition: C (60.67%), H (8.73%), B (3.90%), N (15.16%), O (11.54%)

Molar Mass: 277.18

Atom Count: 44

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.196157
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	SEXOMXBGSMDGJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.39
Topological Polar Surface Area	56.27
Polarizability	30.72
Ring Count	2
Rotatable Bond Count	5

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