2-piperazin-1-ylpyrimidine;dihydrochloride

C8H14Cl2N4 — CID 11680272

IUPAC2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H
InChIKeyZNZGJSLHXOMREP-UHFFFAOYSA-N
MW237.13 g/mol
LogP0.73
Rot. Bonds1

About 2-piperazin-1-ylpyrimidine;dihydrochloride

2-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 11680272) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID11680272
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name2-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H
InChIKeyZNZGJSLHXOMREP-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

Analyze 2-piperazin-1-ylpyrimidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 2-piperazin-1-ylpyrimidine;dihydrochloride (CID 11680272) is 2-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 2-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 2-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is ZNZGJSLHXOMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H.
What are the key properties of 2-piperazin-1-ylpyrimidine;dihydrochloride?
2-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 2-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 11680272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).