1-iodopyrimidin-2-one

C4H3IN2O — CID 19089727

IUPAC1-iodopyrimidin-2-one
SMILESO=c1ncccn1I
InChIInChI=1S/C4H3IN2O/c5-7-3-1-2-6-4(7)8/h1-3H
InChIKeyGVWMAXHHZYFBQH-UHFFFAOYSA-N
MW221.99 g/mol
LogP0.44
Rot. Bonds

About 1-iodopyrimidin-2-one

1-iodopyrimidin-2-one (PubChem CID 19089727) has the molecular formula C4H3IN2O and a molecular weight of 221.99 g/mol. Its IUPAC name is 1-iodopyrimidin-2-one.

Molecular Properties

Compound Name1-iodopyrimidin-2-one
PubChem CID19089727
Molecular FormulaC4H3IN2O
Molecular Weight221.99 g/mol
Exact Mass221.93
IUPAC Name1-iodopyrimidin-2-one
SMILESO=c1ncccn1I
InChIInChI=1S/C4H3IN2O/c5-7-3-1-2-6-4(7)8/h1-3H
InChIKeyGVWMAXHHZYFBQH-UHFFFAOYSA-N
XLogP0.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.99
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodopyrimidin-2-one?
The IUPAC name of 1-iodopyrimidin-2-one (CID 19089727) is 1-iodopyrimidin-2-one.
What is the SMILES notation for 1-iodopyrimidin-2-one?
The canonical SMILES for 1-iodopyrimidin-2-one is O=c1ncccn1I.
What is the InChIKey of 1-iodopyrimidin-2-one?
The InChIKey is GVWMAXHHZYFBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2O/c5-7-3-1-2-6-4(7)8/h1-3H.
What are the key properties of 1-iodopyrimidin-2-one?
1-iodopyrimidin-2-one has a molecular weight of 221.99 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopyrimidin-2-one is sourced from PubChem (CID 19089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).