1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C26H37N7O6 — CID 135127033

IUPAC1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(C)(C)CC(C)(N)Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C26H37N7O6/c1-8-12-28-19(34)29(13-9-2)22(37)32(21(28)36)17-25(5,6)16-26(7,27)18-33-23(38)30(14-10-3)20(35)31(15-11-4)24(33)39/h8-11H,1-4,12-18,27H2,5-7H3
InChIKeyBAMPXNBZKJXNDX-UHFFFAOYSA-N
MW543.63 g/mol
LogP-0.77
Rot. Bonds14

About 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 135127033) has the molecular formula C26H37N7O6 and a molecular weight of 543.63 g/mol. Its IUPAC name is 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID135127033
Molecular FormulaC26H37N7O6
Molecular Weight543.63 g/mol
Exact Mass543.28
IUPAC Name1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(C)(C)CC(C)(N)Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C26H37N7O6/c1-8-12-28-19(34)29(13-9-2)22(37)32(21(28)36)17-25(5,6)16-26(7,27)18-33-23(38)30(14-10-3)20(35)31(15-11-4)24(33)39/h8-11H,1-4,12-18,27H2,5-7H3
InChIKeyBAMPXNBZKJXNDX-UHFFFAOYSA-N
XLogP-0.77
TPSA158.02 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
1-(2,2-dimethylbutyl)-3-[(2-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 89097725
1-(4,4-dimethylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 89280609
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
1,3-diamino-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 139913241
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
1,3-bis(2-methoxyethyl)-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 138624759
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
1-[2-hydroxy-3-[3-[2-hydroxy-3-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]propyl]-2,4,6-trioxo-5-prop-2-enyl-1,3,5-triazinan-1-yl]propyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 59348433
1-(3-methylsulfanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 144591781
1,3-bis(prop-2-enyl)-5-[2-[2-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethoxy]ethoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 122606130

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 135127033) is 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CC(C)(C)CC(C)(N)Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O.
What is the InChIKey of 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is BAMPXNBZKJXNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O6/c1-8-12-28-19(34)29(13-9-2)22(37)32(21(28)36)17-25(5,6)16-26(7,27)18-33-23(38)30(14-10-3)20(35)31(15-11-4)24(33)39/h8-11H,1-4,12-18,27H2,5-7H3.
What are the key properties of 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 543.63 g/mol, XLogP of -0.77, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2,2,4-trimethyl-5-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]pentyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 135127033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).