5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione

C14H15N3O3 — CID 24862866

IUPAC5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(CC=C2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-6-3-9(4-7-10)5-8-11-12(18)15-14(20)16-13(11)19/h3-4,6-8H,5H2,1-2H3,(H2,15,16,18,19,20)
InChIKeyXQNWXALMTFIZAK-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.59
Rot. Bonds3

About 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione

5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 24862866) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
PubChem CID24862866
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(CC=C2C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-17(2)10-6-3-9(4-7-10)5-8-11-12(18)15-14(20)16-13(11)19/h3-4,6-8H,5H2,1-2H3,(H2,15,16,18,19,20)
InChIKeyXQNWXALMTFIZAK-UHFFFAOYSA-N
XLogP0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', '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

2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
(5E,6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 136646629
(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 135784382
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[3,3-bis[4-(dimethylamino)phenyl]prop-2-enyl]-N,N-dimethylaniline
CID 11101418
5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 13241128
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
5-[[4-(dimethylamino)phenyl]methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 890668
(5Z)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6991632
5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 712263
(5S)-5-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethylimidazolidin-4-one
CID 59884066

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione (CID 24862866) is 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione is CN(C)c1ccc(CC=C2C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is XQNWXALMTFIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(2)10-6-3-9(4-7-10)5-8-11-12(18)15-14(20)16-13(11)19/h3-4,6-8H,5H2,1-2H3,(H2,15,16,18,19,20).
What are the key properties of 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione?
5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 273.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethylamino)phenyl]ethylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).