4,6-diiodopyrimidine

C4H2I2N2 — CID 15760295

IUPAC4,6-diiodopyrimidine
SMILESIc1cc(I)ncn1
InChIInChI=1S/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKeyLBVUFZJYMWUZIW-UHFFFAOYSA-N
MW331.88 g/mol
LogP1.69
Rot. Bonds

About 4,6-diiodopyrimidine

4,6-diiodopyrimidine (PubChem CID 15760295) has the molecular formula C4H2I2N2 and a molecular weight of 331.88 g/mol. Its IUPAC name is 4,6-diiodopyrimidine.

Molecular Properties

Compound Name4,6-diiodopyrimidine
PubChem CID15760295
Molecular FormulaC4H2I2N2
Molecular Weight331.88 g/mol
Exact Mass331.83
IUPAC Name4,6-diiodopyrimidine
SMILESIc1cc(I)ncn1
InChIInChI=1S/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKeyLBVUFZJYMWUZIW-UHFFFAOYSA-N
XLogP1.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.88
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diiodopyrimidine?
The IUPAC name of 4,6-diiodopyrimidine (CID 15760295) is 4,6-diiodopyrimidine.
What is the SMILES notation for 4,6-diiodopyrimidine?
The canonical SMILES for 4,6-diiodopyrimidine is Ic1cc(I)ncn1.
What is the InChIKey of 4,6-diiodopyrimidine?
The InChIKey is LBVUFZJYMWUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2I2N2/c5-3-1-4(6)8-2-7-3/h1-2H.
What are the key properties of 4,6-diiodopyrimidine?
4,6-diiodopyrimidine has a molecular weight of 331.88 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodopyrimidine is sourced from PubChem (CID 15760295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).