6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one

C4H4IN3O2 — CID 142666199

IUPAC6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one
SMILESO=c1ncc(I)c(NO)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-2-1-6-4(9)7-3(2)8-10/h1,10H,(H2,6,7,8,9)
InChIKeyHYEFPEMFDDHFFX-UHFFFAOYSA-N
MW253.00 g/mol
LogP0.18
Rot. Bonds1

About 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one

6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one (PubChem CID 142666199) has the molecular formula C4H4IN3O2 and a molecular weight of 253.00 g/mol. Its IUPAC name is 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one
PubChem CID142666199
Molecular FormulaC4H4IN3O2
Molecular Weight253.00 g/mol
Exact Mass252.93
IUPAC Name6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one
SMILESO=c1ncc(I)c(NO)[nH]1
InChIInChI=1S/C4H4IN3O2/c5-2-1-6-4(9)7-3(2)8-10/h1,10H,(H2,6,7,8,9)
InChIKeyHYEFPEMFDDHFFX-UHFFFAOYSA-N
XLogP0.18
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one?
The IUPAC name of 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one (CID 142666199) is 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one?
The canonical SMILES for 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one is O=c1ncc(I)c(NO)[nH]1.
What is the InChIKey of 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one?
The InChIKey is HYEFPEMFDDHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN3O2/c5-2-1-6-4(9)7-3(2)8-10/h1,10H,(H2,6,7,8,9).
What are the key properties of 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one?
6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one has a molecular weight of 253.00 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyamino)-5-iodo-1H-pyrimidin-2-one is sourced from PubChem (CID 142666199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).