4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C162H173Cl3F18N44O14 — CID 159532939

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 159532939) has the molecular formula C162H173Cl3F18N44O14 and a molecular weight of 3408.78 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 159532939
• Molecular Formula: C162H173Cl3F18N44O14
• Molecular Weight: 3408.78 g/mol
• Exact Mass: 3405.30
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1Cl.CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)c1Cl.Nc1nc(-c2ccc(F)cc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2cccc(F)c2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2F)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(N2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/3C24H22F4N6O2.C24H23F3N6O2.C23H32ClN7O2.C22H26F3N7O2.C21H26Cl2N6O2/c25-18-8-4-6-16(12-18)21-32-20(29)19-22(33-21)34(14-31-19)9-1-2-10-36-23(35)30-13-15-5-3-7-17(11-15)24(26,27)28;25-18-9-2-1-8-17(18)21-32-20(29)19-22(33-21)34(14-31-19)10-3-4-11-36-23(35)30-13-15-6-5-7-16(12-15)24(26,27)28;25-18-8-6-16(7-9-18)21-32-20(29)19-22(33-21)34(14-31-19)10-1-2-11-36-23(35)30-13-15-4-3-5-17(12-15)24(26,27)28;25-24(26,27)18-10-6-7-16(13-18)14-29-23(34)35-12-5-4-11-33-15-30-19-20(28)31-21(32-22(19)33)17-8-2-1-3-9-17;1-15(2)12-16-8-7-9-17(18(16)24)13-26-23(32)33-11-6-5-10-31-14-27-19-20(25)28-22(30(3)4)29-21(19)31;23-22(24,25)16-7-5-6-15(12-16)13-27-21(33)34-11-4-3-10-32-14-28-17-18(26)29-20(30-19(17)32)31-8-1-2-9-31;1-13(2)10-14-6-5-7-15(16(14)22)11-25-21(30)31-9-4-3-8-29-12-26-17-18(24)27-20(23)28-19(17)29/h3-8,11-12,14H,1-2,9-10,13H2,(H,30,35)(H2,29,32,33);1-2,5-9,12,14H,3-4,10-11,13H2,(H,30,35)(H2,29,32,33);3-9,12,14H,1-2,10-11,13H2,(H,30,35)(H2,29,32,33);1-3,6-10,13,15H,4-5,11-12,14H2,(H,29,34)(H2,28,31,32);7-9,14-15H,5-6,10-13H2,1-4H3,(H,26,32)(H2,25,28,29);5-7,12,14H,1-4,8-11,13H2,(H,27,33)(H2,26,29,30);5-7,12-13H,3-4,8-11H2,1-2H3,(H,25,30)(H2,24,27,28)
• InChIKey: MDFPJIOCZOYUQY-UHFFFAOYSA-N
• XLogP: 32.01
• TPSA: 762.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 51
• Rotatable Bonds: 59
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3408.78
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 159532939) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1Cl.CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)c1Cl.Nc1nc(-c2ccc(F)cc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2cccc(F)c2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2F)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(N2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is MDFPJIOCZOYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H22F4N6O2.C24H23F3N6O2.C23H32ClN7O2.C22H26F3N7O2.C21H26Cl2N6O2/c25-18-8-4-6-16(12-18)21-32-20(29)19-22(33-21)34(14-31-19)9-1-2-10-36-23(35)30-13-15-5-3-7-17(11-15)24(26,27)28;25-18-9-2-1-8-17(18)21-32-20(29)19-22(33-21)34(14-31-19)10-3-4-11-36-23(35)30-13-15-6-5-7-16(12-15)24(26,27)28;25-18-8-6-16(7-9-18)21-32-20(29)19-22(33-21)34(14-31-19)10-1-2-11-36-23(35)30-13-15-4-3-5-17(12-15)24(26,27)28;25-24(26,27)18-10-6-7-16(13-18)14-29-23(34)35-12-5-4-11-33-15-30-19-20(28)31-21(32-22(19)33)17-8-2-1-3-9-17;1-15(2)12-16-8-7-9-17(18(16)24)13-26-23(32)33-11-6-5-10-31-14-27-19-20(25)28-22(30(3)4)29-21(19)31;23-22(24,25)16-7-5-6-15(12-16)13-27-21(33)34-11-4-3-10-32-14-28-17-18(26)29-20(30-19(17)32)31-8-1-2-9-31;1-13(2)10-14-6-5-7-15(16(14)22)11-25-21(30)31-9-4-3-8-29-12-26-17-18(24)27-20(23)28-19(17)29/h3-8,11-12,14H,1-2,9-10,13H2,(H,30,35)(H2,29,32,33);1-2,5-9,12,14H,3-4,10-11,13H2,(H,30,35)(H2,29,32,33);3-9,12,14H,1-2,10-11,13H2,(H,30,35)(H2,29,32,33);1-3,6-10,13,15H,4-5,11-12,14H2,(H,29,34)(H2,28,31,32);7-9,14-15H,5-6,10-13H2,1-4H3,(H,26,32)(H2,25,28,29);5-7,12,14H,1-4,8-11,13H2,(H,27,33)(H2,26,29,30);5-7,12-13H,3-4,8-11H2,1-2H3,(H,25,30)(H2,24,27,28).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 3408.78 g/mol, XLogP of 32.01, 59 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(3-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(4-fluorophenyl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-phenylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 159532939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).