2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C8H5BrN2O3 — CID 63611922

IUPAC2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(Br)o2)[nH]1
InChIInChI=1S/C8H5BrN2O3/c9-5-2-1-4(14-5)8-10-6(12)3-7(13)11-8/h1-3H,(H2,10,11,12,13)
InChIKeyOAXGFOQAOFLNDV-UHFFFAOYSA-N
MW257.04 g/mol
LogP1.50
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63611922) has the molecular formula C8H5BrN2O3 and a molecular weight of 257.04 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63611922
Molecular FormulaC8H5BrN2O3
Molecular Weight257.04 g/mol
Exact Mass255.95
IUPAC Name2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(-c2ccc(Br)o2)[nH]1
InChIInChI=1S/C8H5BrN2O3/c9-5-2-1-4(14-5)8-10-6(12)3-7(13)11-8/h1-3H,(H2,10,11,12,13)
InChIKeyOAXGFOQAOFLNDV-UHFFFAOYSA-N
XLogP1.50
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.04
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 63611922) is 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(-c2ccc(Br)o2)[nH]1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is OAXGFOQAOFLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O3/c9-5-2-1-4(14-5)8-10-6(12)3-7(13)11-8/h1-3H,(H2,10,11,12,13).
What are the key properties of 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 257.04 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63611922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).