2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride

C8H13Cl3N4 — CID 155822489

IUPAC2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Clc1nccc(N2CCNCC2)n1
InChIInChI=1S/C8H11ClN4.2ClH/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H
InChIKeyMDYBBOSNCXQHLX-UHFFFAOYSA-N
MW271.58 g/mol
LogP1.38
Rot. Bonds1

About 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride

2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 155822489) has the molecular formula C8H13Cl3N4 and a molecular weight of 271.58 g/mol. Its IUPAC name is 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID155822489
Molecular FormulaC8H13Cl3N4
Molecular Weight271.58 g/mol
Exact Mass270.02
IUPAC Name2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Clc1nccc(N2CCNCC2)n1
InChIInChI=1S/C8H11ClN4.2ClH/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H
InChIKeyMDYBBOSNCXQHLX-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 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride (CID 155822489) is 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.Clc1nccc(N2CCNCC2)n1.
What is the InChIKey of 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is MDYBBOSNCXQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4.2ClH/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13;;/h1-2,10H,3-6H2;2*1H.
What are the key properties of 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride?
2-chloro-4-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 2-chloro-4-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 155822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).