CAS 21279-58-3

1H-1,4-Diazepine, hexahydro-1-(2-pyrimidinyl)-, hydrochloride (1:2)

Description:

1H-1,4-Diazepine, hexahydro-1-(2-pyrimidinyl)-, hydrochloride (1:2) is a chemical compound characterized by its bicyclic structure, which includes a diazepine ring fused with a pyrimidine moiety. This compound typically appears as a white to off-white solid and is soluble in water due to the presence of the hydrochloride salt form, which enhances its solubility and stability. The molecular structure suggests potential biological activity, particularly in the realm of pharmacology, where diazepine derivatives are often explored for their anxiolytic, sedative, or anticonvulsant properties. The presence of the pyrimidine ring may also contribute to its interaction with biological targets, potentially influencing its pharmacokinetics and pharmacodynamics. As with many nitrogen-containing heterocycles, this compound may exhibit diverse reactivity and can participate in various chemical reactions, making it of interest in synthetic organic chemistry. Safety and handling precautions should be observed, as with all chemical substances, particularly those with potential biological activity.

Formula: C₉H₁₄N₄.2ClH

InChI: InChI=1S/C9H14N4.2ClH/c1-4-11-9(12-5-1)13-7-2-3-10-6-8-13;;/h1,4-5,10H,2-3,6-8H2;2*1H

InChI key: InChIKey=ZEJOCZVSWBQVRT-UHFFFAOYSA-N

SMILES: C=1(N=CC=CN1)N2CCCNCC2.Cl

1-(Pyrimidin-2-yl)-1,4-diazepane dihydrochloride

CAS: 21279-58-3

Versatile small molecule scaffold

Formula: C₉H₁₆Cl₂N₄

Purity: Min. 95%

Molecular weight: 251.15 g/mol

Ref: 3D-WAA27958