tert-butyl 4-(3-amino-6-bromopyrazin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-6-bromopyrazin-2-yl)piperazine-1-carboxylate

CAS: 479685-13-7

Formula: C13H20BrN5O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=NC(Br)=CN=C1N

IUPAC: tert-butyl 4-(3-amino-6-bromopyrazin-2-yl)piperazine-1-carboxylate

InChI: InChI=1S/C13H20BrN5O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)11-10(15)16-8-9(14)17-11/h8H,4-7H2,1-3H3,(H2,15,16)

Composition: C (43.59%), H (5.63%), Br (22.30%), N (19.55%), O (8.93%)

Molar Mass: 358.24

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	357.080038
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LJDVAJMXKQFLJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.72
Topological Polar Surface Area	84.58
Polarizability	31.57
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	479685-13-7		$31.53-$329.12$31.53$95.84$329.12