6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione

C12H8N4O5 — CID 941768

IUPAC6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=C1OCc2cc(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)ccc21
InChIInChI=1S/C12H8N4O5/c17-9-8(10(18)14-12(20)13-9)16-15-6-1-2-7-5(3-6)4-21-11(7)19/h1-3H,4H2,(H3,13,14,17,18,20)/b16-15+
InChIKeyGWWOSGNAUFRBHS-FOCLMDBBSA-N
MW288.22 g/mol
LogP0.85
Rot. Bonds2

About 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione (PubChem CID 941768) has the molecular formula C12H8N4O5 and a molecular weight of 288.22 g/mol. Its IUPAC name is 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione
PubChem CID941768
Molecular FormulaC12H8N4O5
Molecular Weight288.22 g/mol
Exact Mass288.05
IUPAC Name6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione
SMILESO=C1OCc2cc(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)ccc21
InChIInChI=1S/C12H8N4O5/c17-9-8(10(18)14-12(20)13-9)16-15-6-1-2-7-5(3-6)4-21-11(7)19/h1-3H,4H2,(H3,13,14,17,18,20)/b16-15+
InChIKeyGWWOSGNAUFRBHS-FOCLMDBBSA-N
XLogP0.85
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione (CID 941768) is 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione is O=C1OCc2cc(/N=N/c3c(O)[nH]c(=O)[nH]c3=O)ccc21.
What is the InChIKey of 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is GWWOSGNAUFRBHS-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8N4O5/c17-9-8(10(18)14-12(20)13-9)16-15-6-1-2-7-5(3-6)4-21-11(7)19/h1-3H,4H2,(H3,13,14,17,18,20)/b16-15+.
What are the key properties of 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 288.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(1-oxo-3H-2-benzofuran-5-yl)diazenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 941768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).