1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane

C126H159ClFN13O24 — CID 159564271

About 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane

1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane (PubChem CID 159564271) has the molecular formula C126H159ClFN13O24 and a molecular weight of 2294.18 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane.

Molecular Properties

• Compound Name: 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane
• PubChem CID: 159564271
• Molecular Formula: C126H159ClFN13O24
• Molecular Weight: 2294.18 g/mol
• Exact Mass: 2292.13
• IUPAC Name: 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane
• SMILES: C.C.C.C.C.C.CN1C(=O)N(CC(=O)c2cccc(Cl)c2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2cccc(F)c2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2ccccc2)CC(C)(C2CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2cccnc2)C(=O)C(C)(C2=CCCCC2)C1=O.COc1cccc(C(=O)CN2C(=O)N(C)C(=O)C(C)(C3=CCCCC3)C2=O)c1
• InChI: InChI=1S/C21H24N2O5.C20H21ClN2O4.C20H21FN2O4.C20H22N2O4.C20H26N2O3.C19H21N3O4.6CH4/c1-21(15-9-5-4-6-10-15)18(25)22(2)20(27)23(19(21)26)13-17(24)14-8-7-11-16(12-14)28-3;2*1-20(14-8-4-3-5-9-14)17(25)22(2)19(27)23(18(20)26)12-16(24)13-7-6-10-15(21)11-13;1-20(15-11-7-4-8-12-15)17(24)21(2)19(26)22(18(20)25)13-16(23)14-9-5-3-6-10-14;1-20(16-11-7-4-8-12-16)14-22(19(25)21(2)18(20)24)13-17(23)15-9-5-3-6-10-15;1-19(14-8-4-3-5-9-14)16(24)21(2)18(26)22(17(19)25)12-15(23)13-7-6-10-20-11-13;;;;;;/h7-9,11-12H,4-6,10,13H2,1-3H3;2*6-8,10-11H,3-5,9,12H2,1-2H3;3,5-6,9-11H,4,7-8,12-13H2,1-2H3;3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3;6-8,10-11H,3-5,9,12H2,1-2H3;6*1H4
• InChIKey: MGZVLUKKZJVMEC-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 453.61 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.18
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane?

The IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane (CID 159564271) is 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane.

What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane?

The canonical SMILES for 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane is C.C.C.C.C.C.CN1C(=O)N(CC(=O)c2cccc(Cl)c2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2cccc(F)c2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2ccccc2)C(=O)C(C)(C2=CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2ccccc2)CC(C)(C2CCCCC2)C1=O.CN1C(=O)N(CC(=O)c2cccnc2)C(=O)C(C)(C2=CCCCC2)C1=O.COc1cccc(C(=O)CN2C(=O)N(C)C(=O)C(C)(C3=CCCCC3)C2=O)c1.

What is the InChIKey of 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane?

The InChIKey is MGZVLUKKZJVMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5.C20H21ClN2O4.C20H21FN2O4.C20H22N2O4.C20H26N2O3.C19H21N3O4.6CH4/c1-21(15-9-5-4-6-10-15)18(25)22(2)20(27)23(19(21)26)13-17(24)14-8-7-11-16(12-14)28-3;2*1-20(14-8-4-3-5-9-14)17(25)22(2)19(27)23(18(20)26)12-16(24)13-7-6-10-15(21)11-13;1-20(15-11-7-4-8-12-15)17(24)21(2)19(26)22(18(20)25)13-16(23)14-9-5-3-6-10-14;1-20(16-11-7-4-8-12-16)14-22(19(25)21(2)18(20)24)13-17(23)15-9-5-3-6-10-15;1-19(14-8-4-3-5-9-14)16(24)21(2)18(26)22(17(19)25)12-15(23)13-7-6-10-20-11-13;;;;;;/h7-9,11-12H,4-6,10,13H2,1-3H3;2*6-8,10-11H,3-5,9,12H2,1-2H3;3,5-6,9-11H,4,7-8,12-13H2,1-2H3;3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3;6-8,10-11H,3-5,9,12H2,1-2H3;6*1H4.

What are the key properties of 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane?

1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane has a molecular weight of 2294.18 g/mol, XLogP of 21.35, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-chlorophenyl)-2-oxoethyl]-5-(cyclohexen-1-yl)-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1,5-dimethyl-3-phenacyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-(cyclohexen-1-yl)-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione;5-cyclohexyl-3,5-dimethyl-1-phenacyl-1,3-diazinane-2,4-dione;methane is sourced from PubChem (CID 159564271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).