5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C26H38N4O6 — CID 71030954

IUPAC5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)c(C(C)(C)C=CC(C)(C)C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)n(C)c1=O
InChIInChI=1S/C26H38N4O6/c1-9-10-11-12-15-30-22(34)18(21(33)29(8)24(30)36)26(4,5)14-13-25(2,3)16-17-19(31)27(6)23(35)28(7)20(17)32/h13-14,16,33H,9-12,15H2,1-8H3
InChIKeyVVZARTCDRHDCKU-UHFFFAOYSA-N
MW502.61 g/mol
LogP2.67
Rot. Bonds9

About 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 71030954) has the molecular formula C26H38N4O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID71030954
Molecular FormulaC26H38N4O6
Molecular Weight502.61 g/mol
Exact Mass502.28
IUPAC Name5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCn1c(=O)c(C(C)(C)C=CC(C)(C)C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)n(C)c1=O
InChIInChI=1S/C26H38N4O6/c1-9-10-11-12-15-30-22(34)18(21(33)29(8)24(30)36)26(4,5)14-13-25(2,3)16-17-19(31)27(6)23(35)28(7)20(17)32/h13-14,16,33H,9-12,15H2,1-8H3
InChIKeyVVZARTCDRHDCKU-UHFFFAOYSA-N
XLogP2.67
TPSA121.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
5-fluoro-1,3-dihexadecylpyrimidine-2,4-dione
CID 15579797
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-methyl-3-nonyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 90337163
1,3-dihexyl-5-[3-(1-hexyl-4-hydroxy-3-methyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 90956861
5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
CID 101407013
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
1-hexylpyrrole-2,5-diol
CID 54126791
methane;molecular iodine;1,3,5-triheptyl-1,3,5-triazinane-2,4,6-trione
CID 161402210
1-nonylpyrrole-2,5-diol
CID 54200108

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 71030954) is 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCCCCCn1c(=O)c(C(C)(C)C=CC(C)(C)C=C2C(=O)N(C)C(=O)N(C)C2=O)c(O)n(C)c1=O.
What is the InChIKey of 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VVZARTCDRHDCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O6/c1-9-10-11-12-15-30-22(34)18(21(33)29(8)24(30)36)26(4,5)14-13-25(2,3)16-17-19(31)27(6)23(35)28(7)20(17)32/h13-14,16,33H,9-12,15H2,1-8H3.
What are the key properties of 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 502.61 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-hexyl-4-hydroxy-3-methyl-2,6-dioxopyrimidin-5-yl)-2,2,5-trimethylhex-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71030954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).