ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium

C51H72N7O10+ — CID 59678592

About ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium

ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium (PubChem CID 59678592) has the molecular formula C51H72N7O10+ and a molecular weight of 943.18 g/mol. Its IUPAC name is ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium.

Molecular Properties

• Compound Name: ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium
• PubChem CID: 59678592
• Molecular Formula: C51H72N7O10+
• Molecular Weight: 943.18 g/mol
• Exact Mass: 942.53
• IUPAC Name: ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium
• SMILES: CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)N(C)CCOC(=O)NCCCOCCOCCOCCCNC3NC(=O)N(C4CC(O)C(CC)O4)C=C3C)c2cc1C
• InChI: InChI=1S/C51H71N7O10/c1-8-43-42(59)31-46(68-43)58-32-35(6)48(56-50(58)61)54-17-13-20-63-23-25-65-26-24-64-21-14-18-55-51(62)66-22-19-57(7)49(60)37-16-12-11-15-36(37)47-38-27-33(4)40(52-9-2)29-44(38)67-45-30-41(53-10-3)34(5)28-39(45)47/h11-12,15-16,27-30,32,42-43,46,48,52,54,59H,8-10,13-14,17-26,31H2,1-7H3,(H,55,62)(H,56,61)/p+1/b53-41+
• InChIKey: CRERTYBIOARUOS-WMDVDSBJSA-O
• XLogP: 4.61
• TPSA: 199.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.18
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium?

The IUPAC name of ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium (CID 59678592) is ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium.

What is the SMILES notation for ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium?

The canonical SMILES for ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium is CCNc1cc2oc3c/c(=[NH+]\CC)c(C)cc-3c(-c3ccccc3C(=O)N(C)CCOC(=O)NCCCOCCOCCOCCCNC3NC(=O)N(C4CC(O)C(CC)O4)C=C3C)c2cc1C.

What is the InChIKey of ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium?

The InChIKey is CRERTYBIOARUOS-WMDVDSBJSA-O. The full InChI is InChI=1S/C51H71N7O10/c1-8-43-42(59)31-46(68-43)58-32-35(6)48(56-50(58)61)54-17-13-20-63-23-25-65-26-24-64-21-14-18-55-51(62)66-22-19-57(7)49(60)37-16-12-11-15-36(37)47-38-27-33(4)40(52-9-2)29-44(38)67-45-30-41(53-10-3)34(5)28-39(45)47/h11-12,15-16,27-30,32,42-43,46,48,52,54,59H,8-10,13-14,17-26,31H2,1-7H3,(H,55,62)(H,56,61)/p+1/b53-41+.

What are the key properties of ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium?

ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium has a molecular weight of 943.18 g/mol, XLogP of 4.61, 25 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[6-(ethylamino)-9-[2-[2-[3-[2-[2-[3-[[3-(5-ethyl-4-hydroxyoxolan-2-yl)-5-methyl-2-oxo-1,6-dihydropyrimidin-6-yl]amino]propoxy]ethoxy]ethoxy]propylcarbamoyloxy]ethyl-methylcarbamoyl]phenyl]-2,7-dimethylxanthen-3-ylidene]azanium is sourced from PubChem (CID 59678592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).