chempirical

Pyrimidinylpiperazine

C8H12N4CAS 20980-22-7164.21 g/mol

Open in Covalent MOL file
NNNHN
Secondary amineTertiary amine

Properties

Molecular formula
C8H12N4
Molar mass
164.21 g/mol
Exact mass
164.1062 Da
Melting point
176.5–178.5 °C
Boiling point
118–120 °C (at 2 Torr)
logP
-0.11Crippen estimate
Polar surface area
41.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
20980-22-7
SMILES
c1cnc(N2CCNCC2)nc1
InChIKey
MRBFGEHILMYPTF-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2

Weigh it out

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

Names and synonyms

12 names
  • Pyrimidine, 2-(1-piperazinyl)-
  • 2-(1-Piperazinyl)pyrimidine
  • 1-(2-Pyrimidinyl)piperazine
  • 1-(2-Pyrimidyl)piperazine
  • MJ 13653
  • 4-(2-Pyrimidinyl)piperazine
  • 1-PP
  • CM 56324H
  • PmP
  • N-2-Pyrimidinylpiperazine
  • 2-Piperazinopyrimidine
  • 1-(4-Pyrimidin-2-yl)piperazine

Work with Pyrimidinylpiperazine

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

2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-488 % similar Pyridinylpiperazine34803-66-257 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-252 % similar 1-(2-Thiazolyl)piperazine42270-37-147 % similar 1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-646 % similar Phenylpiperazine92-54-645 % similar 1-(2-Pyrimidinyl)-4-piperidinecarboxylic acid303144-44-743 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-342 % similar

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

Same formula

2-(1-Piperazinyl)pyrazine34803-68-4 Azobisisobutyronitrile78-67-1

Elsewhere

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