5,6-diiodo-1H-pyrimidin-2-one

C4H2I2N2O — CID 135290376

IUPAC5,6-diiodo-1H-pyrimidin-2-one
SMILESO=c1ncc(I)c(I)[nH]1
InChIInChI=1S/C4H2I2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9)
InChIKeyABHAXTFFCIUOCF-UHFFFAOYSA-N
MW347.88 g/mol
LogP0.98
Rot. Bonds

About 5,6-diiodo-1H-pyrimidin-2-one

5,6-diiodo-1H-pyrimidin-2-one (PubChem CID 135290376) has the molecular formula C4H2I2N2O and a molecular weight of 347.88 g/mol. Its IUPAC name is 5,6-diiodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5,6-diiodo-1H-pyrimidin-2-one
PubChem CID135290376
Molecular FormulaC4H2I2N2O
Molecular Weight347.88 g/mol
Exact Mass347.83
IUPAC Name5,6-diiodo-1H-pyrimidin-2-one
SMILESO=c1ncc(I)c(I)[nH]1
InChIInChI=1S/C4H2I2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9)
InChIKeyABHAXTFFCIUOCF-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-diiodo-1H-pyrimidin-2-one 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 5,6-diiodo-1H-pyrimidin-2-one?
The IUPAC name of 5,6-diiodo-1H-pyrimidin-2-one (CID 135290376) is 5,6-diiodo-1H-pyrimidin-2-one.
What is the SMILES notation for 5,6-diiodo-1H-pyrimidin-2-one?
The canonical SMILES for 5,6-diiodo-1H-pyrimidin-2-one is O=c1ncc(I)c(I)[nH]1.
What is the InChIKey of 5,6-diiodo-1H-pyrimidin-2-one?
The InChIKey is ABHAXTFFCIUOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2I2N2O/c5-2-1-7-4(9)8-3(2)6/h1H,(H,7,8,9).
What are the key properties of 5,6-diiodo-1H-pyrimidin-2-one?
5,6-diiodo-1H-pyrimidin-2-one has a molecular weight of 347.88 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diiodo-1H-pyrimidin-2-one is sourced from PubChem (CID 135290376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).