2-piperazin-1-ylpyrimidine;hydrochloride

C8H13ClN4 — CID 2818457

IUPAC2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H
InChIKeyNWJLHLTVRVTJGR-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.31
Rot. Bonds1

About 2-piperazin-1-ylpyrimidine;hydrochloride

2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 2818457) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID2818457
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H
InChIKeyNWJLHLTVRVTJGR-UHFFFAOYSA-N
XLogP0.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopyrimidine
CID 7978
1-(2-Pyrimidinyl)piperazine
CID 88747
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
2,4-Diaminopyrimidine
CID 67431
N-methylpyrimidin-2-amine
CID 265776
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N-cyclohexylpyrimidin-2-amine
CID 21252719
2,2'-Bipyrimidine
CID 123444
N-methylpyrimidin-4-amine
CID 519971
2-Pyrimidinamine, hydrochloride (1:?)
CID 21283515
2-Piperazinylpyrimidine dihydrochloride
CID 11680272

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 2-piperazin-1-ylpyrimidine;hydrochloride (CID 2818457) is 2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylpyrimidine;hydrochloride is Cl.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is NWJLHLTVRVTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;/h1-3,9H,4-7H2;1H.
What are the key properties of 2-piperazin-1-ylpyrimidine;hydrochloride?
2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 2818457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).