6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide

C4H5FIN3O — CID 68820537

IUPAC6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide
SMILESI.Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H4FN3O.HI/c5-2-1-7-4(9)8-3(2)6;/h1H,(H3,6,7,8,9);1H
InChIKeyHGXPOMFUXHOOHW-UHFFFAOYSA-N
MW257.01 g/mol
LogP0.11
Rot. Bonds

About 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide

6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide (PubChem CID 68820537) has the molecular formula C4H5FIN3O and a molecular weight of 257.01 g/mol. Its IUPAC name is 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide.

Molecular Properties

Compound Name6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide
PubChem CID68820537
Molecular FormulaC4H5FIN3O
Molecular Weight257.01 g/mol
Exact Mass256.95
IUPAC Name6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide
SMILESI.Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C4H4FN3O.HI/c5-2-1-7-4(9)8-3(2)6;/h1H,(H3,6,7,8,9);1H
InChIKeyHGXPOMFUXHOOHW-UHFFFAOYSA-N
XLogP0.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.01
LogP ≤ 50.11
H-Bond Donors ≤ 52
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 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide?
The IUPAC name of 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide (CID 68820537) is 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide.
What is the SMILES notation for 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide?
The canonical SMILES for 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide is I.Nc1[nH]c(=O)ncc1F.
What is the InChIKey of 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide?
The InChIKey is HGXPOMFUXHOOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O.HI/c5-2-1-7-4(9)8-3(2)6;/h1H,(H3,6,7,8,9);1H.
What are the key properties of 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide?
6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide has a molecular weight of 257.01 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1H-pyrimidin-2-one;hydroiodide is sourced from PubChem (CID 68820537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).