5-iodo-2-piperazin-1-ylpyrimidine

C8H11IN4 — CID 15729876

IUPAC5-iodo-2-piperazin-1-ylpyrimidine
SMILESIc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11IN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKeyDITGPXZBELUIBR-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.49
Rot. Bonds1

About 5-iodo-2-piperazin-1-ylpyrimidine

5-iodo-2-piperazin-1-ylpyrimidine (PubChem CID 15729876) has the molecular formula C8H11IN4 and a molecular weight of 290.11 g/mol. Its IUPAC name is 5-iodo-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-iodo-2-piperazin-1-ylpyrimidine
PubChem CID15729876
Molecular FormulaC8H11IN4
Molecular Weight290.11 g/mol
Exact Mass290.00
IUPAC Name5-iodo-2-piperazin-1-ylpyrimidine
SMILESIc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11IN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKeyDITGPXZBELUIBR-UHFFFAOYSA-N
XLogP0.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.49
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-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-iodo-2-piperazin-1-ylpyrimidine (CID 15729876) is 5-iodo-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-iodo-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-iodo-2-piperazin-1-ylpyrimidine is Ic1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-iodo-2-piperazin-1-ylpyrimidine?
The InChIKey is DITGPXZBELUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2.
What are the key properties of 5-iodo-2-piperazin-1-ylpyrimidine?
5-iodo-2-piperazin-1-ylpyrimidine has a molecular weight of 290.11 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 15729876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).