1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

C24H35N9O14 — CID 130209577

About 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione

1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 130209577) has the molecular formula C24H35N9O14 and a molecular weight of 673.59 g/mol. Its IUPAC name is 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 130209577
• Molecular Formula: C24H35N9O14
• Molecular Weight: 673.59 g/mol
• Exact Mass: 673.23
• IUPAC Name: 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
• SMILES: COCCn1c(=O)n(CCOCn2c(=O)n(C)c(=O)n(COC)c2=O)c(=O)n(CCOCn2c(=O)n(C)c(=O)n(COC)c2=O)c1=O
• InChI: InChI=1S/C24H35N9O14/c1-25-16(34)30(12-44-4)23(41)32(18(25)36)14-46-10-7-28-20(38)27(6-9-43-3)21(39)29(22(28)40)8-11-47-15-33-19(37)26(2)17(35)31(13-45-5)24(33)42/h6-15H2,1-5H3
• InChIKey: GBKCYRDYYOAFAU-UHFFFAOYSA-N
• XLogP: -6.58
• TPSA: 244.15 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.59
LogP ≤ 5	-6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 130209577) is 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCOCn2c(=O)n(C)c(=O)n(COC)c2=O)c(=O)n(CCOCn2c(=O)n(C)c(=O)n(COC)c2=O)c1=O.

What is the InChIKey of 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

The InChIKey is GBKCYRDYYOAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N9O14/c1-25-16(34)30(12-44-4)23(41)32(18(25)36)14-46-10-7-28-20(38)27(6-9-43-3)21(39)29(22(28)40)8-11-47-15-33-19(37)26(2)17(35)31(13-45-5)24(33)42/h6-15H2,1-5H3.

What are the key properties of 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione?

1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 673.59 g/mol, XLogP of -6.58, 17 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(2-methoxyethyl)-5-[2-[[3-(methoxymethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethoxymethyl]-3-(methoxymethyl)-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 130209577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).