5-bromo-2-(piperazin-1-yl)pyrimidine hydrochloride

5-bromo-2-(piperazin-1-yl)pyrimidine hydrochloride

CAS: 1030022-85-5

Formula: C8H12BrClN4

SMILES: Cl.BrC1=CN=C(N=C1)N1CCNCC1

IUPAC: 5-bromo-2-(piperazin-1-yl)pyrimidine hydrochloride

InChI: InChI=1S/C8H11BrN4.ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;/h5-6,10H,1-4H2;1H

Composition: C (34.37%), H (4.33%), Br (28.58%), Cl (12.68%), N (20.04%)

Molar Mass: 279.57

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	277.993387
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HNOXJQKRBDCFQA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.48
Topological Polar Surface Area	41.05
Polarizability	20.72
Ring Count	2
Rotatable Bond Count	1

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