2-(1-Piperazinyl)pyrimidine dihydrochloride

C8H14Cl2N4CAS 94021-22-4237.13 g/mol

Open in Covalent MOL file
HClHClNNNHN
Secondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

8 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
  • 2-Piperazinylpyrimidine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pyrimidinylpiperazine20980-22-7Free base

Similar compounds

1-(2-Pyridyl)piperazine monohydrochloride129394-11-261 % similar Pyridinylpiperazine34803-66-252 % similar 1-Phenylpiperazine hydrochloride2210-93-750 % similar 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine179756-91-346 % similar 2-Piperazinonicotinonitrile84951-44-044 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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