5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione

C92H92N12O18 — CID 158593528

IUPAC5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O.CN1C(=O)NC(=O)C(Cc2ccccc2)C1=O.O=C1CC(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16N2O3.C17H14N2O3.C16H24N2O3.C16H12N2O3.C13H14N2O3.C12H12N2O3/c21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;20-15-11-16(21)19(14-9-5-2-6-10-14)17(22)18(15)12-13-7-3-1-4-8-13;2*19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9;1-14-11(16)9(10(15)13-12(14)17)7-8-5-3-2-4-6-8/h1-10H,11-13H2;1-10H,11-12H2;12-13H,1-11H2;1-10H,11H2;3-7,10H,8H2,1-2H3;2-6,9H,7H2,1H3,(H,13,15,17)
InChIKeyHUSUHMMHTQNWIL-UHFFFAOYSA-N
MW1653.81 g/mol
LogP12.00
Rot. Bonds15

About 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 158593528) has the molecular formula C92H92N12O18 and a molecular weight of 1653.81 g/mol. Its IUPAC name is 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID158593528
Molecular FormulaC92H92N12O18
Molecular Weight1653.81 g/mol
Exact Mass1652.67
IUPAC Name5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O.CN1C(=O)NC(=O)C(Cc2ccccc2)C1=O.O=C1CC(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H16N2O3.C17H14N2O3.C16H24N2O3.C16H12N2O3.C13H14N2O3.C12H12N2O3/c21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;20-15-11-16(21)19(14-9-5-2-6-10-14)17(22)18(15)12-13-7-3-1-4-8-13;2*19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9;1-14-11(16)9(10(15)13-12(14)17)7-8-5-3-2-4-6-8/h1-10H,11-13H2;1-10H,11-12H2;12-13H,1-11H2;1-10H,11H2;3-7,10H,8H2,1-2H3;2-6,9H,7H2,1H3,(H,13,15,17)
InChIKeyHUSUHMMHTQNWIL-UHFFFAOYSA-N
XLogP12.00
TPSA354.93 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001653.81
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
CID 158655341
5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 144582870
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione
CID 159349821
1-[3-[5-[(1-benzyl-3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-2-methylphenyl]cyclohexyl]-5-[[3-[3-(3-cyclohexyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)cyclohexyl]phenyl]methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 138492812
1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
CID 71681702
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 871927
1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 21131332
benzylbenzene;1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;ethane
CID 167545184

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 158593528) is 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O.CN1C(=O)NC(=O)C(Cc2ccccc2)C1=O.O=C1CC(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1CC(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HUSUHMMHTQNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3.C17H14N2O3.C16H24N2O3.C16H12N2O3.C13H14N2O3.C12H12N2O3/c21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;20-15-11-16(21)19(14-9-5-2-6-10-14)17(22)18(15)12-13-7-3-1-4-8-13;2*19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12;1-14-11(16)10(12(17)15(2)13(14)18)8-9-6-4-3-5-7-9;1-14-11(16)9(10(15)13-12(14)17)7-8-5-3-2-4-6-8/h1-10H,11-13H2;1-10H,11-12H2;12-13H,1-11H2;1-10H,11H2;3-7,10H,8H2,1-2H3;2-6,9H,7H2,1H3,(H,13,15,17).
What are the key properties of 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 1653.81 g/mol, XLogP of 12.00, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 158593528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).