Pyrimidinylpiperazine

C₈H₁₂N₄CAS 20980-22-7164.21 g/mol

Open in Covalent MOL file

Secondary amine Tertiary 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)
pKa: 8.9
logP: -0.11Crippen estimate
Polar surface area: 41.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage31.3% of notifiers
H315 Causes skin irritation68.7% of notifiers
H319 Causes serious eye irritation65.7% of notifiers
H335 May cause respiratory irritation65.7% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

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.

2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-4Salt

Similar compounds

Pyridinylpiperazine34803-66-257 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-252 % similar 2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine179756-91-350 % similar 2-Piperazinonicotinonitrile84951-44-047 % similar 1-(2-Thiazolyl)piperazine42270-37-147 % similar 1-(4-Pyridyl)piperazine1008-91-947 % similar 1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-646 % similar 1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane238403-48-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Piperazinylpyrazine34803-68-4 Azobisisobutyronitrile78-67-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia