2-(1-Piperazinyl)pyrimidine dihydrochloride

C₈H₁₄Cl₂N₄CAS 94021-22-4237.13 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₈H₁₄Cl₂N₄
Molar mass: 237.13 g/mol
Exact mass: 236.0596 Da
Melting point: 252.5–253 °C
logP: 0.73Crippen estimate
Polar surface area: 41.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

94021-22-4

SMILES

Cl.Cl.c1cnc(N2CCNCC2)nc1

InChIKey

ZNZGJSLHXOMREP-UHFFFAOYSA-N

InChI

InChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Pyrimidine, 2-(1-piperazinyl)-, hydrochloride (1:2)
Pyrimidine, 2-(1-piperazinyl)-, dihydrochloride
1-(2-Pyrimidinyl)piperazine dihydrochloride
1-(2-Pyrimidyl)piperazine dihydrochloride
NIH 10854
N-(2-Pyrimidinyl)piperazine dihydrochloride
4-(Pyrimidin-2-yl)piperazine dihydrochloride

Work with 2-(1-Piperazinyl)pyrimidine dihydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyrimidinylpiperazine20980-22-788 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-261 % similar Pyridinylpiperazine34803-66-252 % similar 1-Phenylpiperazine hydrochloride2210-93-750 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-143 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-443 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-843 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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