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

C13H15N3O4 — CID 2180343

IUPAC5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=O
InChIInChI=1S/C13H15N3O4/c1-14(2)10-6-5-8(20-10)7-9-11(17)15(3)13(19)16(4)12(9)18/h5-7H,1-4H3
InChIKeyNOJVKXGYNBCUHD-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.78
Rot. Bonds2

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

5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 2180343) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID2180343
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=O
InChIInChI=1S/C13H15N3O4/c1-14(2)10-6-5-8(20-10)7-9-11(17)15(3)13(19)16(4)12(9)18/h5-7H,1-4H3
InChIKeyNOJVKXGYNBCUHD-UHFFFAOYSA-N
XLogP0.78
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.78
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 2180343) is 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=Cc2ccc(N(C)C)o2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NOJVKXGYNBCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-14(2)10-6-5-8(20-10)7-9-11(17)15(3)13(19)16(4)12(9)18/h5-7H,1-4H3.
What are the key properties of 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 277.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2180343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).