5-piperazin-1-ylpyrimidine;hydrochloride

C8H13ClN4 — CID 69201469

IUPAC5-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;/h5-7,9H,1-4H2;1H
InChIKeyYBETUEKOSIAOLN-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.31
Rot. Bonds1

About 5-piperazin-1-ylpyrimidine;hydrochloride

5-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 69201469) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID69201469
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name5-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;/h5-7,9H,1-4H2;1H
InChIKeyYBETUEKOSIAOLN-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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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-piperazin-1-ylpyrimidine;hydrochloride (CID 69201469) is 5-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-piperazin-1-ylpyrimidine;hydrochloride is Cl.c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is YBETUEKOSIAOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;/h5-7,9H,1-4H2;1H.
What are the key properties of 5-piperazin-1-ylpyrimidine;hydrochloride?
5-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 5-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 69201469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).