5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

C13H13N3O5 — CID 2273904

IUPAC5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N1
InChIInChI=1S/C13H13N3O5/c17-11-9(12(18)15-13(19)14-11)7-8-1-2-10(21-8)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17,18,19)
InChIKeyUQZCJCVHAOEKSE-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.13
Rot. Bonds2

About 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2273904) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2273904
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N1
InChIInChI=1S/C13H13N3O5/c17-11-9(12(18)15-13(19)14-11)7-8-1-2-10(21-8)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17,18,19)
InChIKeyUQZCJCVHAOEKSE-UHFFFAOYSA-N
XLogP-0.13
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,3-Diethyl-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 987600
5-[[5-(Diethylamino)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 712366
(E)-2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839237
(5E)-5-{[5-(diethylamino)furan-2-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 900249
(Z)-5-((5-morpholinofuran-2-yl)methylene)imidazolidine-2,4-dione
CID 1990024
(5Z)-1-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5421118
(5E)-5-[(5-morpholin-4-yl-2-furyl)methylene]imidazolidine-2,4-dione
CID 704755
1,3-dimethyl-5-{[5-(1-piperidinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 880443
(Z)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 929419
1-allyl-5-{[5-(4-morpholinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 1634413
5-{[5-(1-azepanyl)-2-furyl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 1740011
1-(4-ethoxyphenyl)-5-{[5-(1-piperidinyl)-2-furyl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1894762

Frequently Asked Questions

What is the IUPAC name of 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 2273904) is 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N1.
What is the InChIKey of 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is UQZCJCVHAOEKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-11-9(12(18)15-13(19)14-11)7-8-1-2-10(21-8)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,14,15,17,18,19).
What are the key properties of 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 291.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2273904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).