lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide

C35H45LiN6O3-2 — CID 163223006

About lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide

lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide (PubChem CID 163223006) has the molecular formula C35H45LiN6O3-2 and a molecular weight of 604.73 g/mol. Its IUPAC name is lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide.

Molecular Properties

• Compound Name: lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide
• PubChem CID: 163223006
• Molecular Formula: C35H45LiN6O3-2
• Molecular Weight: 604.73 g/mol
• Exact Mass: 604.37
• IUPAC Name: lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide
• SMILES: Cc1cccc2ccc[c-]c12.[CH2-]Cc1c([CH2-])nc(OCC23CCCN2C(COC(=O)NC)CC3)nc1N1CC2CCC(C1)N2.[Li+]
• InChI: InChI=1S/C24H36N6O3.C11H9.Li/c1-4-20-16(2)26-22(28-21(20)29-12-17-6-7-18(13-29)27-17)33-15-24-9-5-11-30(24)19(8-10-24)14-32-23(31)25-3;1-9-5-4-7-10-6-2-3-8-11(9)10;/h17-19,27H,1-2,4-15H2,3H3,(H,25,31);2-7H,1H3;/q-2;-1;+1
• InChIKey: KKGIPJLTJAOWPK-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 91.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.73
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide?

The IUPAC name of lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide (CID 163223006) is lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide.

What is the SMILES notation for lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide?

The canonical SMILES for lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide is Cc1cccc2ccc[c-]c12.[CH2-]Cc1c([CH2-])nc(OCC23CCCN2C(COC(=O)NC)CC3)nc1N1CC2CCC(C1)N2.[Li+].

What is the InChIKey of lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide?

The InChIKey is KKGIPJLTJAOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3.C11H9.Li/c1-4-20-16(2)26-22(28-21(20)29-12-17-6-7-18(13-29)27-17)33-15-24-9-5-11-30(24)19(8-10-24)14-32-23(31)25-3;1-9-5-4-7-10-6-2-3-8-11(9)10;/h17-19,27H,1-2,4-15H2,3H3,(H,25,31);2-7H,1H3;/q-2;-1;+1.

What are the key properties of lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide?

lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide has a molecular weight of 604.73 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5-ethyl-6-methanidylpyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate;8-methyl-1H-naphthalen-1-ide is sourced from PubChem (CID 163223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).