5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C15H21N3O4 — CID 102531849

IUPAC5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O)CC
InChIInChI=1S/C15H21N3O4/c1-5-18(6-2)9-7-8-11(19)10-12-13(20)16(3)15(22)17(4)14(12)21/h7-10,19H,5-6H2,1-4H3/b9-7+,11-8-
InChIKeyGJDHZIFXYUTGDH-BGZVTZOUSA-N
MW307.35 g/mol
LogP1.26
Rot. Bonds5

About 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 102531849) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID102531849
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O)CC
InChIInChI=1S/C15H21N3O4/c1-5-18(6-2)9-7-8-11(19)10-12-13(20)16(3)15(22)17(4)14(12)21/h7-10,19H,5-6H2,1-4H3/b9-7+,11-8-
InChIKeyGJDHZIFXYUTGDH-BGZVTZOUSA-N
XLogP1.26
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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'}

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Related Compounds

5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6282221
5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6392556
5-[(2Z,4E)-2-hydroxy-5-pyrrolidin-1-ylpenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 102531853
5-((2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dien-1-ylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 163358790
1,3-di-tert-butyl-5-((2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dien-1-ylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 163358792
5-[3-(Dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 319881
5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 58426290
5-[(E)-3-[bis(2-methylpropyl)amino]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 130328008
5-[3-(Diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 319879
5-[(Z)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6282342
5-[(Z)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 92857010
5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 101063317

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 102531849) is 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCN(/C=C/C=C(\O)C=C1C(=O)N(C)C(=O)N(C)C1=O)CC.
What is the InChIKey of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is GJDHZIFXYUTGDH-BGZVTZOUSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-5-18(6-2)9-7-8-11(19)10-12-13(20)16(3)15(22)17(4)14(12)21/h7-10,19H,5-6H2,1-4H3/b9-7+,11-8-.
What are the key properties of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 307.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102531849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).