(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

C25H18N4O6 — CID 14273769

IUPAC(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/C=C/C=C/c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H18N4O6/c30-20-18(22(32)28(24(34)26-20)16-10-4-1-5-11-16)14-8-3-9-15-19-21(31)27-25(35)29(23(19)33)17-12-6-2-7-13-17/h1-15,32H,(H,26,30,34)(H,27,31,35)/b9-3+,14-8+,19-15+
InChIKeyIKVFOVRLYWSAQZ-GLBDIXCZSA-N
MW470.44 g/mol
LogP2.01
Rot. Bonds5

About (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 14273769) has the molecular formula C25H18N4O6 and a molecular weight of 470.44 g/mol. Its IUPAC name is (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID14273769
Molecular FormulaC25H18N4O6
Molecular Weight470.44 g/mol
Exact Mass470.12
IUPAC Name(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/C=C/C=C/c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H18N4O6/c30-20-18(22(32)28(24(34)26-20)16-10-4-1-5-11-16)14-8-3-9-15-19-21(31)27-25(35)29(23(19)33)17-12-6-2-7-13-17/h1-15,32H,(H,26,30,34)(H,27,31,35)/b9-3+,14-8+,19-15+
InChIKeyIKVFOVRLYWSAQZ-GLBDIXCZSA-N
XLogP2.01
TPSA141.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-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

Related Compounds

3-(4-carboxyphenyl)-5-[(1E,3E,5E)-5-[1-(4-carboxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]penta-1,3-dienyl]-2,6-dioxopyrimidin-4-olate;triethylazanium
CID 160947720
6-hydroxy-1-phenyl-5-[(E)-1,2,4-triazol-4-yliminomethyl]pyrimidine-2,4-dione
CID 135477983
5-cinnamylidene-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 741459
5-[(3-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873245
(5E)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126052456
4-[(1E,3E,5E)-5-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)penta-1,3-dienyl]-5-oxo-2-phenyl-1H-pyrazol-3-olate
CID 59061755
6-hydroxy-5-[5-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]penta-1,3,4-trienyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 91358217
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 939765
(5Z)-1-(3-chloro-4-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 2301032
6-hydroxy-1-phenyl-5-[(2,4,6-trichlorophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4124584
5-cinnamylidene-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 917325
(5E)-5-[(4-methylpiperazin-1-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 91820818

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione (CID 14273769) is (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/C=C/C=C/c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IKVFOVRLYWSAQZ-GLBDIXCZSA-N. The full InChI is InChI=1S/C25H18N4O6/c30-20-18(22(32)28(24(34)26-20)16-10-4-1-5-11-16)14-8-3-9-15-19-21(31)27-25(35)29(23(19)33)17-12-6-2-7-13-17/h1-15,32H,(H,26,30,34)(H,27,31,35)/b9-3+,14-8+,19-15+.
What are the key properties of (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione?
(5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 470.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2E,4E)-5-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)penta-2,4-dienylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 14273769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).