sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide

C94H121F4I5N24NaO14Sn- — CID 158122560

About sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide

sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide (PubChem CID 158122560) has the molecular formula C94H121F4I5N24NaO14Sn- and a molecular weight of 2657.37 g/mol. Its IUPAC name is sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide
• PubChem CID: 158122560
• Molecular Formula: C94H121F4I5N24NaO14Sn-
• Molecular Weight: 2657.37 g/mol
• Exact Mass: 2657.36
• IUPAC Name: sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide
• SMILES: CC(C)CN(CCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CN(CCn1c(Cc2cc3c(cc2[124I])OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CN(CCn1c(Cc2cc3c(cc2[Sn](C)(C)C)OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CNCCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21.[124I-].[I-].[Na+]
• InChI: InChI=1S/2C24H30FIN6O4.C24H30FN6O4.C19H22FIN6O2.3CH3.2HI.Na.Sn/c2*1-13(2)11-31(23(33)36-24(3,4)5)6-7-32-18(28-19-20(27)29-22(25)30-21(19)32)9-14-8-16-17(10-15(14)26)35-12-34-16;1-14(2)12-30(23(32)35-24(3,4)5)8-9-31-18(27-19-20(26)28-22(25)29-21(19)31)11-15-6-7-16-17(10-15)34-13-33-16;1-10(2)8-23-3-4-27-15(24-16-17(22)25-19(20)26-18(16)27)6-11-5-13-14(7-12(11)21)29-9-28-13;;;;;;;/h2*8,10,13H,6-7,9,11-12H2,1-5H3,(H2,27,29,30);7,10,14H,8-9,11-13H2,1-5H3,(H2,26,28,29);5,7,10,23H,3-4,6,8-9H2,1-2H3,(H2,22,25,26);3*1H3;2*1H;;/q;;;;;;;;;+1;/p-2/i26-3;;;;;;;1-3
• InChIKey: HUAQKILJSMRPBB-PCHOPTLASA-L
• XLogP: 6.76
• TPSA: 452.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.37
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide?

The IUPAC name of sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide (CID 158122560) is sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide.

What is the SMILES notation for sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide?

The canonical SMILES for sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide is CC(C)CN(CCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CN(CCn1c(Cc2cc3c(cc2[124I])OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CN(CCn1c(Cc2cc3c(cc2[Sn](C)(C)C)OCO3)nc2c(N)nc(F)nc21)C(=O)OC(C)(C)C.CC(C)CNCCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21.[124I-].[I-].[Na+].

What is the InChIKey of sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide?

The InChIKey is HUAQKILJSMRPBB-PCHOPTLASA-L. The full InChI is InChI=1S/2C24H30FIN6O4.C24H30FN6O4.C19H22FIN6O2.3CH3.2HI.Na.Sn/c2*1-13(2)11-31(23(33)36-24(3,4)5)6-7-32-18(28-19-20(27)29-22(25)30-21(19)32)9-14-8-16-17(10-15(14)26)35-12-34-16;1-14(2)12-30(23(32)35-24(3,4)5)8-9-31-18(27-19-20(26)28-22(25)29-21(19)31)11-15-6-7-16-17(10-15)34-13-33-16;1-10(2)8-23-3-4-27-15(24-16-17(22)25-19(20)26-18(16)27)6-11-5-13-14(7-12(11)21)29-9-28-13;;;;;;;/h2*8,10,13H,6-7,9,11-12H2,1-5H3,(H2,27,29,30);7,10,14H,8-9,11-13H2,1-5H3,(H2,26,28,29);5,7,10,23H,3-4,6,8-9H2,1-2H3,(H2,22,25,26);3*1H3;2*1H;;/q;;;;;;;;;+1;/p-2/i26-3;;;;;;;1-3;;;.

What are the key properties of sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide?

sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide has a molecular weight of 2657.37 g/mol, XLogP of 6.76, 29 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-(124I)iodo-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[2-[6-amino-2-fluoro-8-[(6-trimethylstannyl-1,3-benzodioxol-5-yl)methyl]purin-9-yl]ethyl]-N-(2-methylpropyl)carbamate;2-fluoro-8-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-9-[2-(2-methylpropylamino)ethyl]purin-6-amine;iodine-124(1-);iodide is sourced from PubChem (CID 158122560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).