5-piperazin-1-ylpyrimidine;dihydrochloride

C8H14Cl2N4 — CID 138989368

IUPAC5-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.2ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;;/h5-7,9H,1-4H2;2*1H
InChIKeyMSYNUWJXZDQLQE-UHFFFAOYSA-N
MW237.13 g/mol
LogP0.73
Rot. Bonds1

About 5-piperazin-1-ylpyrimidine;dihydrochloride

5-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 138989368) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 5-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID138989368
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name5-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.2ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;;/h5-7,9H,1-4H2;2*1H
InChIKeyMSYNUWJXZDQLQE-UHFFFAOYSA-N
XLogP0.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 50.73
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;dihydrochloride?
The IUPAC name of 5-piperazin-1-ylpyrimidine;dihydrochloride (CID 138989368) is 5-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is MSYNUWJXZDQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;;/h5-7,9H,1-4H2;2*1H.
What are the key properties of 5-piperazin-1-ylpyrimidine;dihydrochloride?
5-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 0.73, 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;dihydrochloride is sourced from PubChem (CID 138989368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).