2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione

C13H9N3O5 — CID 19917951

IUPAC2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ncc(O)c(=O)[nH]1
InChIInChI=1S/C13H9N3O5/c17-9-5-14-10(15-11(9)18)6-21-16-12(19)7-3-1-2-4-8(7)13(16)20/h1-5,17H,6H2,(H,14,15,18)
InChIKeyQZMNRXQEUDNVOS-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.20
Rot. Bonds3

About 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione

2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione (PubChem CID 19917951) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione
PubChem CID19917951
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ncc(O)c(=O)[nH]1
InChIInChI=1S/C13H9N3O5/c17-9-5-14-10(15-11(9)18)6-21-16-12(19)7-3-1-2-4-8(7)13(16)20/h1-5,17H,6H2,(H,14,15,18)
InChIKeyQZMNRXQEUDNVOS-UHFFFAOYSA-N
XLogP0.20
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione (CID 19917951) is 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1ncc(O)c(=O)[nH]1.
What is the InChIKey of 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione?
The InChIKey is QZMNRXQEUDNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-9-5-14-10(15-11(9)18)6-21-16-12(19)7-3-1-2-4-8(7)13(16)20/h1-5,17H,6H2,(H,14,15,18).
What are the key properties of 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione?
2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione has a molecular weight of 287.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 19917951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).