pyrimidine-4,6-dicarbonyl iodide

C6H2I2N2O2 — CID 149078134

IUPACpyrimidine-4,6-dicarbonyl iodide
SMILESO=C(I)c1cc(C(=O)I)ncn1
InChIInChI=1S/C6H2I2N2O2/c7-5(11)3-1-4(6(8)12)10-2-9-3/h1-2H
InChIKeyQPPBPFPAKUVFTM-UHFFFAOYSA-N
MW387.90 g/mol
LogP1.63
Rot. Bonds2

About pyrimidine-4,6-dicarbonyl iodide

pyrimidine-4,6-dicarbonyl iodide (PubChem CID 149078134) has the molecular formula C6H2I2N2O2 and a molecular weight of 387.90 g/mol. Its IUPAC name is pyrimidine-4,6-dicarbonyl iodide.

Molecular Properties

Compound Namepyrimidine-4,6-dicarbonyl iodide
PubChem CID149078134
Molecular FormulaC6H2I2N2O2
Molecular Weight387.90 g/mol
Exact Mass387.82
IUPAC Namepyrimidine-4,6-dicarbonyl iodide
SMILESO=C(I)c1cc(C(=O)I)ncn1
InChIInChI=1S/C6H2I2N2O2/c7-5(11)3-1-4(6(8)12)10-2-9-3/h1-2H
InChIKeyQPPBPFPAKUVFTM-UHFFFAOYSA-N
XLogP1.63
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-4,6-dicarbonyl iodide?
The IUPAC name of pyrimidine-4,6-dicarbonyl iodide (CID 149078134) is pyrimidine-4,6-dicarbonyl iodide.
What is the SMILES notation for pyrimidine-4,6-dicarbonyl iodide?
The canonical SMILES for pyrimidine-4,6-dicarbonyl iodide is O=C(I)c1cc(C(=O)I)ncn1.
What is the InChIKey of pyrimidine-4,6-dicarbonyl iodide?
The InChIKey is QPPBPFPAKUVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2I2N2O2/c7-5(11)3-1-4(6(8)12)10-2-9-3/h1-2H.
What are the key properties of pyrimidine-4,6-dicarbonyl iodide?
pyrimidine-4,6-dicarbonyl iodide has a molecular weight of 387.90 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-4,6-dicarbonyl iodide is sourced from PubChem (CID 149078134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).