5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C21H14N2O4 — CID 2288313

IUPAC5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccco2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H14N2O4/c24-19-18(14-17-12-7-13-27-17)20(25)23(16-10-5-2-6-11-16)21(26)22(19)15-8-3-1-4-9-15/h1-14H
InChIKeyUDOWDRWBIHPTLP-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.86
Rot. Bonds3

About 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2288313) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID2288313
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2ccco2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H14N2O4/c24-19-18(14-17-12-7-13-27-17)20(25)23(16-10-5-2-6-11-16)21(26)22(19)15-8-3-1-4-9-15/h1-14H
InChIKeyUDOWDRWBIHPTLP-UHFFFAOYSA-N
XLogP3.86
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1911770
5-Furan-2-ylmethylene-1-phenyl-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 1559791
(5E)-1-(3-fluorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 2300529
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1903398
(5E)-1-(3,5-dimethylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2292609
1-(3-ethoxyphenyl)-5-(2-furylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 2258593
5-Furan-2-ylmethylene-1-(4-methoxy-phenyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 5757581
(5E)-5-(3-furylmethylene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1909759
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 1922630
(5E)-5-(3-furylmethylene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 2201802
1-(4-Ethoxy-phenyl)-5-furan-2-ylmethylene-2-thioxo-dihydro-pyrimidine-4,6-dione
CID 2059125
1-(3,5-dimethylphenyl)-5-[3-(2-furyl)-2-propen-1-ylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2267112

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 2288313) is 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(=Cc2ccco2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UDOWDRWBIHPTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-19-18(14-17-12-7-13-27-17)20(25)23(16-10-5-2-6-11-16)21(26)22(19)15-8-3-1-4-9-15/h1-14H.
What are the key properties of 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 358.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2288313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).