1-(2-Pyrimidyl)piperazine hydrochloride
PubChem CID
2818457
Structure
Molecular Formula
Synonyms
- 78069-54-2
- 1-(2-pyrimidyl)piperazine hydrochloride
- 2-(piperazin-1-yl)pyrimidine hydrochloride
- 2-(1-piperazinyl)-pyrimidine hydrochloride
- Pyrimidine, 2-(1-piperazinyl)-, monohydrochloride
Molecular Weight
200.67 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2005-07-19
- Modify:2024-12-28
Chemical Structure Depiction
3D Conformer of Parent
2-piperazin-1-ylpyrimidine;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NWJLHLTVRVTJGR-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1CN(CCN1)C2=NC=CC=N2.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C8H13ClN4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
78069-54-2
- 78069-54-2
- 1-(2-pyrimidyl)piperazine hydrochloride
- 2-(piperazin-1-yl)pyrimidine hydrochloride
- 2-(1-piperazinyl)-pyrimidine hydrochloride
- Pyrimidine, 2-(1-piperazinyl)-, monohydrochloride
- 2-piperazin-1-ylpyrimidine;hydrochloride
- 2-(Piperazin-1-yl)pyrimidine xhydrochloride
- 123319-76-6
- 2-piperazin-1-ylpyrimidine,hydrochloride
- SMR000059057
- MLS000069476
- SCHEMBL924147
- CHEMBL1343342
- DTXSID10384767
- NWJLHLTVRVTJGR-UHFFFAOYSA-N
- AKOS015849727
- PYRIMIDINYLPIPERAZINE HYDROCHLORIDE
- 1-(2-pyrimidinyl)piperazine hydrochloride
- 2-(1-piperazinyl)-pyrimidinehydrochloride
- 2-(1-piperazinyl)pyrimidine hydrochloride
- 2-piperazin-1-yl-pyrimidine hydrochloride
- 1-(2-pyrimi-dinyl)piperazine hydrochloride
- 1-(2-pyrimidinyl) piperazine hydrochloride
- DB-027251
- DB-147943
- CS-0319429
- D87605
- J-506536
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
200.67 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
200.0828741 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
200.0828741 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
41.1Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
127
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
>35.6 [ug/mL] (The mean of the results at pH 7.4)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NWJLHLTVRVTJGR-UHFFFAOYSA-N
- Burnham Center for Chemical Genomics
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Pyrimidine, 2-(1-piperazinyl)-, hydrochloride (1:2)https://commonchemistry.cas.org/detail?cas_rn=94021-22-4
- EPA DSSTox1-(2-pyrimidyl)piperazine hydrochloridehttps://comptox.epa.gov/dashboard/DTXSID10384767CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- SpectraBase1-(2-pyrimidinyl)piperazin-4-ium chloridehttps://spectrabase.com/spectrum/Do5PX07lmj0
- Springer Nature
- Wikidata1-(2-Pyrimidyl)piperazine hydrochloridehttps://www.wikidata.org/wiki/Q72505000
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388565945https://pubchem.ncbi.nlm.nih.gov/substance/388565945
CONTENTS