4-bromo-5-iodo-1H-pyrimidin-6-one

C4H2BrIN2O — CID 136757882

IUPAC4-bromo-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Br)c1I
InChIInChI=1S/C4H2BrIN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9)
InChIKeyFWPIIFHBBUMBEY-UHFFFAOYSA-N
MW300.88 g/mol
LogP1.14
Rot. Bonds

About 4-bromo-5-iodo-1H-pyrimidin-6-one

4-bromo-5-iodo-1H-pyrimidin-6-one (PubChem CID 136757882) has the molecular formula C4H2BrIN2O and a molecular weight of 300.88 g/mol. Its IUPAC name is 4-bromo-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-bromo-5-iodo-1H-pyrimidin-6-one
PubChem CID136757882
Molecular FormulaC4H2BrIN2O
Molecular Weight300.88 g/mol
Exact Mass299.84
IUPAC Name4-bromo-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Br)c1I
InChIInChI=1S/C4H2BrIN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9)
InChIKeyFWPIIFHBBUMBEY-UHFFFAOYSA-N
XLogP1.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-bromo-5-iodo-1H-pyrimidin-6-one (CID 136757882) is 4-bromo-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-bromo-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-bromo-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Br)c1I.
What is the InChIKey of 4-bromo-5-iodo-1H-pyrimidin-6-one?
The InChIKey is FWPIIFHBBUMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrIN2O/c5-3-2(6)4(9)8-1-7-3/h1H,(H,7,8,9).
What are the key properties of 4-bromo-5-iodo-1H-pyrimidin-6-one?
4-bromo-5-iodo-1H-pyrimidin-6-one has a molecular weight of 300.88 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136757882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).