4-amino-5-fluoro-1-iodopyrimidin-2-one

C4H3FIN3O — CID 126717548

IUPAC4-amino-5-fluoro-1-iodopyrimidin-2-one
SMILESNc1nc(=O)n(I)cc1F
InChIInChI=1S/C4H3FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1H,(H2,7,8,10)
InChIKeyARISUSRSGFKPFD-UHFFFAOYSA-N
MW254.99 g/mol
LogP0.16
Rot. Bonds

About 4-amino-5-fluoro-1-iodopyrimidin-2-one

4-amino-5-fluoro-1-iodopyrimidin-2-one (PubChem CID 126717548) has the molecular formula C4H3FIN3O and a molecular weight of 254.99 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-iodopyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-iodopyrimidin-2-one
PubChem CID126717548
Molecular FormulaC4H3FIN3O
Molecular Weight254.99 g/mol
Exact Mass254.93
IUPAC Name4-amino-5-fluoro-1-iodopyrimidin-2-one
SMILESNc1nc(=O)n(I)cc1F
InChIInChI=1S/C4H3FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1H,(H2,7,8,10)
InChIKeyARISUSRSGFKPFD-UHFFFAOYSA-N
XLogP0.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.99
LogP ≤ 50.16
H-Bond Donors ≤ 51
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 4-amino-5-fluoro-1-iodopyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-iodopyrimidin-2-one (CID 126717548) is 4-amino-5-fluoro-1-iodopyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-iodopyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-iodopyrimidin-2-one is Nc1nc(=O)n(I)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-iodopyrimidin-2-one?
The InChIKey is ARISUSRSGFKPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1H,(H2,7,8,10).
What are the key properties of 4-amino-5-fluoro-1-iodopyrimidin-2-one?
4-amino-5-fluoro-1-iodopyrimidin-2-one has a molecular weight of 254.99 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-iodopyrimidin-2-one is sourced from PubChem (CID 126717548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).