tert-butyl N-(5-bromopyrimidin-2-yl)-N-cyclopropylcarbamate

tert-butyl N-(5-bromopyrimidin-2-yl)-N-cyclopropylcarbamate

CAS: 1215205-89-2

Formula: C12H16BrN3O2

SMILES: CC(C)(C)OC(=O)N(C1CC1)C1=NC=C(Br)C=N1

IUPAC: tert-butyl N-(5-bromopyrimidin-2-yl)-N-cyclopropylcarbamate

InChI: InChI=1S/C12H16BrN3O2/c1-12(2,3)18-11(17)16(9-4-5-9)10-14-6-8(13)7-15-10/h6-7,9H,4-5H2,1-3H3

Composition: C (45.88%), H (5.13%), Br (25.43%), N (13.37%), O (10.18%)

Molar Mass: 314.183

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	313.04259
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AEFKUGYFFRKJFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.91
Topological Polar Surface Area	55.32
Polarizability	27.36
Ring Count	2
Rotatable Bond Count	4

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