4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate

C145H184Cl4FN49O18 — CID 160932495

About 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate

4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate (PubChem CID 160932495) has the molecular formula C145H184Cl4FN49O18 and a molecular weight of 3062.20 g/mol. Its IUPAC name is 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate.

Molecular Properties

• Compound Name: 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate
• PubChem CID: 160932495
• Molecular Formula: C145H184Cl4FN49O18
• Molecular Weight: 3062.20 g/mol
• Exact Mass: 3058.37
• IUPAC Name: 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate
• SMILES: CC(C)CNc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)c1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)c(F)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(Cl)c3)c2n1.Nc1nc(N2CCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(N2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(NC2CC2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2
• InChI: InChI=1S/C23H33N7O2.C22H29N7O4.C21H26ClN7O2.C21H25N7O4.C20H24ClN7O2.C19H23ClFN7O2.C19H24ClN7O2/c1-16(2)12-17-8-7-9-18(13-17)14-25-23(31)32-11-6-5-10-30-15-26-19-20(24)27-22(29(3)4)28-21(19)30;1-14(2)10-24-21-27-19(23)18-20(28-21)29(12-26-18)7-3-4-8-31-22(30)25-11-15-5-6-16-17(9-15)33-13-32-16;22-16-7-5-6-15(12-16)13-24-21(30)31-11-4-3-10-29-14-25-17-18(23)26-20(27-19(17)29)28-8-1-2-9-28;22-18-17-19(27-20(26-18)25-14-4-5-14)28(11-24-17)7-1-2-8-30-21(29)23-10-13-3-6-15-16(9-13)32-12-31-15;21-15-6-3-5-14(11-15)12-23-20(29)30-10-2-1-7-28-13-24-16-17(22)25-19(26-18(16)28)27-8-4-9-27;1-27(2)18-25-16(22)15-17(26-18)28(11-24-15)7-3-4-8-30-19(29)23-10-12-5-6-13(20)14(21)9-12;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)8-3-4-9-29-19(28)22-11-13-6-5-7-14(20)10-13/h7-9,13,15-16H,5-6,10-12,14H2,1-4H3,(H,25,31)(H2,24,27,28);5-6,9,12,14H,3-4,7-8,10-11,13H2,1-2H3,(H,25,30)(H3,23,24,27,28);5-7,12,14H,1-4,8-11,13H2,(H,24,30)(H2,23,26,27);3,6,9,11,14H,1-2,4-5,7-8,10,12H2,(H,23,29)(H3,22,25,26,27);3,5-6,11,13H,1-2,4,7-10,12H2,(H,23,29)(H2,22,25,26);5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,29)(H2,22,25,26);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,22,28)(H2,21,24,25)
• InChIKey: STLFVPBAHXAXTB-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 832.83 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 60
• Rotatable Bonds: 61
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3062.20
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	60

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-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate?

The IUPAC name of 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate (CID 160932495) is 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate.

What is the SMILES notation for 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate?

The canonical SMILES for 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate is CC(C)CNc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc4c(c3)OCO4)c2n1.CC(C)Cc1cccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)c1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(Cl)c(F)c3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(Cl)c3)c2n1.Nc1nc(N2CCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(N2CCCC2)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(NC2CC2)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)OCO2.

What is the InChIKey of 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate?

The InChIKey is STLFVPBAHXAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2.C22H29N7O4.C21H26ClN7O2.C21H25N7O4.C20H24ClN7O2.C19H23ClFN7O2.C19H24ClN7O2/c1-16(2)12-17-8-7-9-18(13-17)14-25-23(31)32-11-6-5-10-30-15-26-19-20(24)27-22(29(3)4)28-21(19)30;1-14(2)10-24-21-27-19(23)18-20(28-21)29(12-26-18)7-3-4-8-31-22(30)25-11-15-5-6-16-17(9-15)33-13-32-16;22-16-7-5-6-15(12-16)13-24-21(30)31-11-4-3-10-29-14-25-17-18(23)26-20(27-19(17)29)28-8-1-2-9-28;22-18-17-19(27-20(26-18)25-14-4-5-14)28(11-24-17)7-1-2-8-30-21(29)23-10-13-3-6-15-16(9-13)32-12-31-15;21-15-6-3-5-14(11-15)12-23-20(29)30-10-2-1-7-28-13-24-16-17(22)25-19(26-18(16)28)27-8-4-9-27;1-27(2)18-25-16(22)15-17(26-18)28(11-24-15)7-3-4-8-30-19(29)23-10-12-5-6-13(20)14(21)9-12;1-26(2)18-24-16(21)15-17(25-18)27(12-23-15)8-3-4-9-29-19(28)22-11-13-6-5-7-14(20)10-13/h7-9,13,15-16H,5-6,10-12,14H2,1-4H3,(H,25,31)(H2,24,27,28);5-6,9,12,14H,3-4,7-8,10-11,13H2,1-2H3,(H,25,30)(H3,23,24,27,28);5-7,12,14H,1-4,8-11,13H2,(H,24,30)(H2,23,26,27);3,6,9,11,14H,1-2,4-5,7-8,10,12H2,(H,23,29)(H3,22,25,26,27);3,5-6,11,13H,1-2,4,7-10,12H2,(H,23,29)(H2,22,25,26);5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,29)(H2,22,25,26);5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,22,28)(H2,21,24,25).

What are the key properties of 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate?

4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate has a molecular weight of 3062.20 g/mol, XLogP of 20.86, 61 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(cyclopropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chlorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropylamino)purin-9-yl]butyl N-(1,3-benzodioxol-5-ylmethyl)carbamate;4-(6-amino-2-pyrrolidin-1-ylpurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 160932495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).