5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C13H12N2O5 — CID 59595207

IUPAC5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(O)cc2O)C(=O)N(C)C1=O
InChIInChI=1S/C13H12N2O5/c1-14-11(18)9(12(19)15(2)13(14)20)5-7-3-4-8(16)6-10(7)17/h3-6,16-17H,1-2H3
InChIKeyURHHHNHYJAANDR-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.53
Rot. Bonds1

About 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 59595207) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID59595207
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(O)cc2O)C(=O)N(C)C1=O
InChIInChI=1S/C13H12N2O5/c1-14-11(18)9(12(19)15(2)13(14)20)5-7-3-4-8(16)6-10(7)17/h3-6,16-17H,1-2H3
InChIKeyURHHHNHYJAANDR-UHFFFAOYSA-N
XLogP0.53
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-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 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 59595207) is 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=Cc2ccc(O)cc2O)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is URHHHNHYJAANDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-14-11(18)9(12(19)15(2)13(14)20)5-7-3-4-8(16)6-10(7)17/h3-6,16-17H,1-2H3.
What are the key properties of 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 276.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dihydroxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59595207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).