5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C17H18N4O6 — CID 6437666

IUPAC5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/CC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O
InChIInChI=1S/C17H18N4O6/c1-18-12(22)10(13(23)19(2)16(18)26)8-6-5-7-9-11-14(24)20(3)17(27)21(4)15(11)25/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyVUKLGXZGBALJRY-AATRIKPKSA-N
MW374.35 g/mol
LogP-0.11
Rot. Bonds3

About 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 6437666) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID6437666
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/CC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O
InChIInChI=1S/C17H18N4O6/c1-18-12(22)10(13(23)19(2)16(18)26)8-6-5-7-9-11-14(24)20(3)17(27)21(4)15(11)25/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyVUKLGXZGBALJRY-AATRIKPKSA-N
XLogP-0.11
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 6437666) is 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/CC=C2C(=O)N(C)C(=O)N(C)C2=O)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VUKLGXZGBALJRY-AATRIKPKSA-N. The full InChI is InChI=1S/C17H18N4O6/c1-18-12(22)10(13(23)19(2)16(18)26)8-6-5-7-9-11-14(24)20(3)17(27)21(4)15(11)25/h5-6,8-9H,7H2,1-4H3/b6-5+.
What are the key properties of 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 374.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6437666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).