1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione

C70H137N19O18 — CID 158361930

About 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione

1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 158361930) has the molecular formula C70H137N19O18 and a molecular weight of 1532.98 g/mol. Its IUPAC name is 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione
• PubChem CID: 158361930
• Molecular Formula: C70H137N19O18
• Molecular Weight: 1532.98 g/mol
• Exact Mass: 1532.04
• IUPAC Name: 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione
• SMILES: CCC(O)Cn1c(=O)n(CC(O)CCCCCCNC)c(=O)n(CC(O)CNCCCCN)c1=O.CCC(O)Cn1c(=O)n(CC(O)CN(C)CCCN(CC)CC)c(=O)n(CC(O)CN(CC)CC)c1=O.CCC(O)Cn1c(=O)n(CC(O)CN2CCNCC2)c(=O)n(CC(O)CN2CCN(C)CC2)c1=O
• InChI: InChI=1S/C25H50N6O6.C23H46N6O6.C22H41N7O6/c1-7-20(32)17-29-23(35)30(18-21(33)15-26(6)13-12-14-27(8-2)9-3)25(37)31(24(29)36)19-22(34)16-28(10-4)11-5;1-3-18(30)15-27-21(33)28(16-19(31)10-6-4-5-8-12-25-2)23(35)29(22(27)34)17-20(32)14-26-13-9-7-11-24;1-3-17(30)14-27-20(33)28(15-18(31)12-25-6-4-23-5-7-25)22(35)29(21(27)34)16-19(32)13-26-10-8-24(2)9-11-26/h20-22,32-34H,7-19H2,1-6H3;18-20,25-26,30-32H,3-17,24H2,1-2H3;17-19,23,30-32H,3-16H2,1-2H3
• InChIKey: GTORQOJOGDOPRF-UHFFFAOYSA-N
• XLogP: -7.35
• TPSA: 461.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 50
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.98
LogP ≤ 5	-7.35
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione?

The IUPAC name of 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione (CID 158361930) is 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione.

What is the SMILES notation for 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione?

The canonical SMILES for 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione is CCC(O)Cn1c(=O)n(CC(O)CCCCCCNC)c(=O)n(CC(O)CNCCCCN)c1=O.CCC(O)Cn1c(=O)n(CC(O)CN(C)CCCN(CC)CC)c(=O)n(CC(O)CN(CC)CC)c1=O.CCC(O)Cn1c(=O)n(CC(O)CN2CCNCC2)c(=O)n(CC(O)CN2CCN(C)CC2)c1=O.

What is the InChIKey of 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione?

The InChIKey is GTORQOJOGDOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N6O6.C23H46N6O6.C22H41N7O6/c1-7-20(32)17-29-23(35)30(18-21(33)15-26(6)13-12-14-27(8-2)9-3)25(37)31(24(29)36)19-22(34)16-28(10-4)11-5;1-3-18(30)15-27-21(33)28(16-19(31)10-6-4-5-8-12-25-2)23(35)29(22(27)34)17-20(32)14-26-13-9-7-11-24;1-3-17(30)14-27-20(33)28(15-18(31)12-25-6-4-23-5-7-25)22(35)29(21(27)34)16-19(32)13-26-10-8-24(2)9-11-26/h20-22,32-34H,7-19H2,1-6H3;18-20,25-26,30-32H,3-17,24H2,1-2H3;17-19,23,30-32H,3-16H2,1-2H3.

What are the key properties of 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione?

1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 1532.98 g/mol, XLogP of -7.35, 50 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-aminobutylamino)-2-hydroxypropyl]-3-(2-hydroxybutyl)-5-[2-hydroxy-8-(methylamino)octyl]-1,3,5-triazinane-2,4,6-trione;1-[3-(diethylamino)-2-hydroxypropyl]-3-[3-[3-(diethylamino)propyl-methylamino]-2-hydroxypropyl]-5-(2-hydroxybutyl)-1,3,5-triazinane-2,4,6-trione;1-(2-hydroxybutyl)-3-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-5-(2-hydroxy-3-piperazin-1-ylpropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 158361930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).