2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide

C122H139ClN36O23 — CID 160915983

About 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide

2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 160915983) has the molecular formula C122H139ClN36O23 and a molecular weight of 2513.14 g/mol. Its IUPAC name is 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 160915983
• Molecular Formula: C122H139ClN36O23
• Molecular Weight: 2513.14 g/mol
• Exact Mass: 2511.05
• IUPAC Name: 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc1.Cc1ncnc2c1ncn2C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNC(=O)Cc2ccc(Cl)cc2)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNC(=O)c2ccccc2)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccccc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2cnc3c(N)ncnc32)C(O)C1O
• InChI: InChI=1S/C25H26N6O3.C22H29N5O4.C20H23N5O5.C19H20ClN5O4.C18H22N10O3.C18H19N5O4/c1-15-21-24(28-13-27-15)31(14-29-21)25-23(33)22(32)20(34-25)12-26-10-11-30-18-8-4-2-6-16(18)17-7-3-5-9-19(17)30;1-11-16-19(25-9-24-11)27(10-26-16)20-18(29)17(28)15(31-20)8-23-21(30)22-5-12-2-13(6-22)4-14(3-12)7-22;1-11-16-19(23-9-22-11)25(10-24-16)20-18(28)17(27)14(30-20)8-21-15(26)7-12-3-5-13(29-2)6-4-12;1-10-15-18(23-8-22-10)25(9-24-15)19-17(28)16(27)13(29-19)7-21-14(26)6-11-2-4-12(20)5-3-11;1-9-11-17(24-5-21-9)28(8-26-11)18-14(30)13(29)10(31-18)4-20-2-3-27-7-25-12-15(19)22-6-23-16(12)27;1-10-13-16(21-8-20-10)23(9-22-13)18-15(25)14(24)12(27-18)7-19-17(26)11-5-3-2-4-6-11/h2-9,13-14,20,22-23,25-26,32-33H,10-12H2,1H3;9-10,12-15,17-18,20,28-29H,2-8H2,1H3,(H,23,30);3-6,9-10,14,17-18,20,27-28H,7-8H2,1-2H3,(H,21,26);2-5,8-9,13,16-17,19,27-28H,6-7H2,1H3,(H,21,26);5-8,10,13-14,18,20,29-30H,2-4H2,1H3,(H2,19,22,23);2-6,8-9,12,14-15,18,24-25H,7H2,1H3,(H,19,26)
• InChIKey: SRKGJXXHRXQENE-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 783.98 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 55
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.14
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 160915983) is 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2OC(n3cnc4c(C)ncnc43)C(O)C2O)cc1.Cc1ncnc2c1ncn2C1OC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNC(=O)Cc2ccc(Cl)cc2)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNC(=O)c2ccccc2)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccccc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2cnc3c(N)ncnc32)C(O)C1O.

What is the InChIKey of 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is SRKGJXXHRXQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3.C22H29N5O4.C20H23N5O5.C19H20ClN5O4.C18H22N10O3.C18H19N5O4/c1-15-21-24(28-13-27-15)31(14-29-21)25-23(33)22(32)20(34-25)12-26-10-11-30-18-8-4-2-6-16(18)17-7-3-5-9-19(17)30;1-11-16-19(25-9-24-11)27(10-26-16)20-18(29)17(28)15(31-20)8-23-21(30)22-5-12-2-13(6-22)4-14(3-12)7-22;1-11-16-19(23-9-22-11)25(10-24-16)20-18(28)17(27)14(30-20)8-21-15(26)7-12-3-5-13(29-2)6-4-12;1-10-15-18(23-8-22-10)25(9-24-15)19-17(28)16(27)13(29-19)7-21-14(26)6-11-2-4-12(20)5-3-11;1-9-11-17(24-5-21-9)28(8-26-11)18-14(30)13(29)10(31-18)4-20-2-3-27-7-25-12-15(19)22-6-23-16(12)27;1-10-13-16(21-8-20-10)23(9-22-13)18-15(25)14(24)12(27-18)7-19-17(26)11-5-3-2-4-6-11/h2-9,13-14,20,22-23,25-26,32-33H,10-12H2,1H3;9-10,12-15,17-18,20,28-29H,2-8H2,1H3,(H,23,30);3-6,9-10,14,17-18,20,27-28H,7-8H2,1-2H3,(H,21,26);2-5,8-9,13,16-17,19,27-28H,6-7H2,1H3,(H,21,26);5-8,10,13-14,18,20,29-30H,2-4H2,1H3,(H2,19,22,23);2-6,8-9,12,14-15,18,24-25H,7H2,1H3,(H,19,26).

What are the key properties of 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide?

2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 2513.14 g/mol, XLogP of 3.08, 31 rotatable bonds, 19 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(6-aminopurin-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[(2-carbazol-9-ylethylamino)methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(4-chlorophenyl)-N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]acetamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]adamantane-1-carboxamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]benzamide;N-[[3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 160915983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).