5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione

C107H142N18O12 — CID 159209778

About 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione

5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione (PubChem CID 159209778) has the molecular formula C107H142N18O12 and a molecular weight of 1872.43 g/mol. Its IUPAC name is 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione.

Molecular Properties

• Compound Name: 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione
• PubChem CID: 159209778
• Molecular Formula: C107H142N18O12
• Molecular Weight: 1872.43 g/mol
• Exact Mass: 1871.11
• IUPAC Name: 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione
• SMILES: CC1(C)NC(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N1.CC1(C)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1.CCCCN(CCCC)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1.CCN(CC)c1ccc(/C=C/C=C2C(=O)NC(C)(C)NC2=O)cc1.CCN(CC)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1.CN(C)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1
• InChI: InChI=1S/C21H31N3O2.C19H25N3O2.C18H23N3O2.C17H21N3O2.C17H23N3O2.C15H19N3O2/c1-5-7-13-24(14-8-6-2)17-11-9-16(10-12-17)15-18-19(25)22-21(3,4)23-20(18)26;1-5-22(6-2)15-12-10-14(11-13-15)8-7-9-16-17(23)20-19(3,4)21-18(16)24;1-18(2)19-16(22)15(17(23)20-18)12-13-6-8-14(9-7-13)21-10-4-3-5-11-21;1-17(2)18-15(21)14(16(22)19-17)11-12-5-7-13(8-6-12)20-9-3-4-10-20;1-5-20(6-2)13-9-7-12(8-10-13)11-14-15(21)18-17(3,4)19-16(14)22;1-15(2)16-13(19)12(14(20)17-15)9-10-5-7-11(8-6-10)18(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,22,25)(H,23,26);7-13H,5-6H2,1-4H3,(H,20,23)(H,21,24);6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,23);5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22);7-11H,5-6H2,1-4H3,(H,18,21)(H,19,22);5-9H,1-4H3,(H,16,19)(H,17,20)/b;8-7+
• InChIKey: KQIQPSUGUYIXJF-IRZQSNLESA-N
• XLogP: 12.62
• TPSA: 368.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.43
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione?

The IUPAC name of 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione (CID 159209778) is 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione.

What is the SMILES notation for 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione?

The canonical SMILES for 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione is CC1(C)NC(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N1.CC1(C)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N1.CCCCN(CCCC)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1.CCN(CC)c1ccc(/C=C/C=C2C(=O)NC(C)(C)NC2=O)cc1.CCN(CC)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1.CN(C)c1ccc(C=C2C(=O)NC(C)(C)NC2=O)cc1.

What is the InChIKey of 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione?

The InChIKey is KQIQPSUGUYIXJF-IRZQSNLESA-N. The full InChI is InChI=1S/C21H31N3O2.C19H25N3O2.C18H23N3O2.C17H21N3O2.C17H23N3O2.C15H19N3O2/c1-5-7-13-24(14-8-6-2)17-11-9-16(10-12-17)15-18-19(25)22-21(3,4)23-20(18)26;1-5-22(6-2)15-12-10-14(11-13-15)8-7-9-16-17(23)20-19(3,4)21-18(16)24;1-18(2)19-16(22)15(17(23)20-18)12-13-6-8-14(9-7-13)21-10-4-3-5-11-21;1-17(2)18-15(21)14(16(22)19-17)11-12-5-7-13(8-6-12)20-9-3-4-10-20;1-5-20(6-2)13-9-7-12(8-10-13)11-14-15(21)18-17(3,4)19-16(14)22;1-15(2)16-13(19)12(14(20)17-15)9-10-5-7-11(8-6-10)18(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,22,25)(H,23,26);7-13H,5-6H2,1-4H3,(H,20,23)(H,21,24);6-9,12H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,23);5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,22);7-11H,5-6H2,1-4H3,(H,18,21)(H,19,22);5-9H,1-4H3,(H,16,19)(H,17,20)/b;8-7+;;;;.

What are the key properties of 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione?

5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione has a molecular weight of 1872.43 g/mol, XLogP of 12.62, 23 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(dibutylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(diethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;5-[[4-(dimethylamino)phenyl]methylidene]-2,2-dimethyl-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione;2,2-dimethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-4,6-dione is sourced from PubChem (CID 159209778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).