5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride

C8H13Cl2IN4 — CID 67539377

IUPAC5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Ic1cncnc1N1CCNCC1
InChIInChI=1S/C8H11IN4.2ClH/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H
InChIKeyFVOQAVMUMQGPAR-UHFFFAOYSA-N
MW363.03 g/mol
LogP1.33
Rot. Bonds1

About 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride

5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride (PubChem CID 67539377) has the molecular formula C8H13Cl2IN4 and a molecular weight of 363.03 g/mol. Its IUPAC name is 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
PubChem CID67539377
Molecular FormulaC8H13Cl2IN4
Molecular Weight363.03 g/mol
Exact Mass361.96
IUPAC Name5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
SMILESCl.Cl.Ic1cncnc1N1CCNCC1
InChIInChI=1S/C8H11IN4.2ClH/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H
InChIKeyFVOQAVMUMQGPAR-UHFFFAOYSA-N
XLogP1.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.03
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride?
The IUPAC name of 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride (CID 67539377) is 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride?
The canonical SMILES for 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride is Cl.Cl.Ic1cncnc1N1CCNCC1.
What is the InChIKey of 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride?
The InChIKey is FVOQAVMUMQGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4.2ClH/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;;/h5-6,10H,1-4H2;2*1H.
What are the key properties of 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride?
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride has a molecular weight of 363.03 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 67539377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).