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

C13H14N2O5 — CID 167474355

IUPAC1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(OC)cc(N2C(=O)CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H14N2O5/c1-14-11(16)7-12(17)15(13(14)18)8-4-9(19-2)6-10(5-8)20-3/h4-6H,7H2,1-3H3
InChIKeyYWMISWXKQZTNNV-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.02
Rot. Bonds3

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

1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 167474355) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione
PubChem CID167474355
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(OC)cc(N2C(=O)CC(=O)N(C)C2=O)c1
InChIInChI=1S/C13H14N2O5/c1-14-11(16)7-12(17)15(13(14)18)8-4-9(19-2)6-10(5-8)20-3/h4-6H,7H2,1-3H3
InChIKeyYWMISWXKQZTNNV-UHFFFAOYSA-N
XLogP1.02
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione (CID 167474355) is 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione is COc1cc(OC)cc(N2C(=O)CC(=O)N(C)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YWMISWXKQZTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-14-11(16)7-12(17)15(13(14)18)8-4-9(19-2)6-10(5-8)20-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione?
1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 278.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 167474355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).