5-iodo-1H-pyrimidine-2,4-dione

C8H6I2N4O4 — CID 66645095

IUPAC5-iodo-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(I)c(=O)[nH]1.O=c1[nH]cc(I)c(=O)[nH]1
InChIInChI=1S/2C4H3IN2O2/c2*5-2-1-6-4(9)7-3(2)8/h2*1H,(H2,6,7,8,9)
InChIKeyHNGFYSNTGKCJQL-UHFFFAOYSA-N
MW475.97 g/mol
LogP-0.66
Rot. Bonds

About 5-iodo-1H-pyrimidine-2,4-dione

5-iodo-1H-pyrimidine-2,4-dione (PubChem CID 66645095) has the molecular formula C8H6I2N4O4 and a molecular weight of 475.97 g/mol. Its IUPAC name is 5-iodo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1H-pyrimidine-2,4-dione
PubChem CID66645095
Molecular FormulaC8H6I2N4O4
Molecular Weight475.97 g/mol
Exact Mass475.85
IUPAC Name5-iodo-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(I)c(=O)[nH]1.O=c1[nH]cc(I)c(=O)[nH]1
InChIInChI=1S/2C4H3IN2O2/c2*5-2-1-6-4(9)7-3(2)8/h2*1H,(H2,6,7,8,9)
InChIKeyHNGFYSNTGKCJQL-UHFFFAOYSA-N
XLogP-0.66
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.97
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
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-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1H-pyrimidine-2,4-dione (CID 66645095) is 5-iodo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1H-pyrimidine-2,4-dione is O=c1[nH]cc(I)c(=O)[nH]1.O=c1[nH]cc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-1H-pyrimidine-2,4-dione?
The InChIKey is HNGFYSNTGKCJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3IN2O2/c2*5-2-1-6-4(9)7-3(2)8/h2*1H,(H2,6,7,8,9).
What are the key properties of 5-iodo-1H-pyrimidine-2,4-dione?
5-iodo-1H-pyrimidine-2,4-dione has a molecular weight of 475.97 g/mol, XLogP of -0.66, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66645095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).