5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride

C8H13Cl3N4 — CID 86277751

IUPAC5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Clc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11ClN4.2ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H
InChIKeyNJAITXQYNUCBED-UHFFFAOYSA-N
MW271.58 g/mol
LogP1.38
Rot. Bonds1

About 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride

5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 86277751) has the molecular formula C8H13Cl3N4 and a molecular weight of 271.58 g/mol. Its IUPAC name is 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID86277751
Molecular FormulaC8H13Cl3N4
Molecular Weight271.58 g/mol
Exact Mass270.02
IUPAC Name5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Clc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11ClN4.2ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H
InChIKeyNJAITXQYNUCBED-UHFFFAOYSA-N
XLogP1.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.58
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride (CID 86277751) is 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.Clc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is NJAITXQYNUCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4.2ClH/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H.
What are the key properties of 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride?
5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 271.58 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 86277751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).