1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione

C10H9N3O4 — CID 107626313

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione
SMILESCOc1cc(OC)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C10H9N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h3-5H,1-2H3
InChIKeySVFUFMMWNJFQLG-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.08
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione

1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione (PubChem CID 107626313) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione
PubChem CID107626313
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione
SMILESCOc1cc(OC)nc(N2C(=O)C=CC2=O)n1
InChIInChI=1S/C10H9N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h3-5H,1-2H3
InChIKeySVFUFMMWNJFQLG-UHFFFAOYSA-N
XLogP-0.08
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
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 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione (CID 107626313) is 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione is COc1cc(OC)nc(N2C(=O)C=CC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione?
The InChIKey is SVFUFMMWNJFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-16-6-5-7(17-2)12-10(11-6)13-8(14)3-4-9(13)15/h3-5H,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione?
1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione has a molecular weight of 235.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 107626313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).