1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione

C12H12N2O5 — CID 5350152

IUPAC1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OC)c(N2C(=O)CC(=O)NC2=O)c1
InChIInChI=1S/C12H12N2O5/c1-18-7-3-4-9(19-2)8(5-7)14-11(16)6-10(15)13-12(14)17/h3-5H,6H2,1-2H3,(H,13,15,17)
InChIKeyGKPKRZWRSHAXEL-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.68
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione

1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 5350152) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID5350152
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(OC)c(N2C(=O)CC(=O)NC2=O)c1
InChIInChI=1S/C12H12N2O5/c1-18-7-3-4-9(19-2)8(5-7)14-11(16)6-10(15)13-12(14)17/h3-5H,6H2,1-2H3,(H,13,15,17)
InChIKeyGKPKRZWRSHAXEL-UHFFFAOYSA-N
XLogP0.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 5350152) is 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione is COc1ccc(OC)c(N2C(=O)CC(=O)NC2=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GKPKRZWRSHAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-18-7-3-4-9(19-2)8(5-7)14-11(16)6-10(15)13-12(14)17/h3-5H,6H2,1-2H3,(H,13,15,17).
What are the key properties of 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 264.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5350152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).