4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C143H154Cl9F12N49O18 — CID 159132105

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 159132105) has the molecular formula C143H154Cl9F12N49O18 and a molecular weight of 3394.18 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 159132105
• Molecular Formula: C143H154Cl9F12N49O18
• Molecular Weight: 3394.18 g/mol
• Exact Mass: 3387.96
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: CCOc1cc(F)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c(F)c1.CCOc1ccc(F)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1F.CNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccc(F)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(F)cccc1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(F)c1
• InChI: InChI=1S/2C19H21ClF2N6O3.C19H22F3N7O2.C18H20ClFN6O2.C17H17Cl2FN6O2.C17H18Cl2N6O2.C17H17ClF2N6O2.C17H18ClFN6O2/c1-2-30-13-6-5-12(21)11(14(13)22)9-24-19(29)31-8-4-3-7-28-10-25-15-16(23)26-18(20)27-17(15)28;1-2-30-11-7-13(21)12(14(22)8-11)9-24-19(29)31-6-4-3-5-28-10-25-15-16(23)26-18(20)27-17(15)28;1-24-17-27-15(23)14-16(28-17)29(11-26-14)7-2-3-8-31-18(30)25-10-12-5-4-6-13(9-12)19(20,21)22;19-17-24-15(21)14-16(25-17)26(11-23-14)9-1-2-10-28-18(27)22-8-7-12-3-5-13(20)6-4-12;18-11-4-3-10(7-12(11)20)8-22-17(27)28-6-2-1-5-26-9-23-13-14(21)24-16(19)25-15(13)26;18-12-5-3-4-11(8-12)9-21-17(26)27-7-2-1-6-25-10-22-13-14(20)23-16(19)24-15(13)25;18-16-24-14(21)13-15(25-16)26(9-23-13)6-1-2-7-28-17(27)22-8-10-11(19)4-3-5-12(10)20;18-16-23-14(20)13-15(24-16)25(10-22-13)6-1-2-7-27-17(26)21-9-11-4-3-5-12(19)8-11/h5-6,10H,2-4,7-9H2,1H3,(H,24,29)(H2,23,26,27);7-8,10H,2-6,9H2,1H3,(H,24,29)(H2,23,26,27);4-6,9,11H,2-3,7-8,10H2,1H3,(H,25,30)(H3,23,24,27,28);3-6,11H,1-2,7-10H2,(H,22,27)(H2,21,24,25);3-4,7,9H,1-2,5-6,8H2,(H,22,27)(H2,21,24,25);3-5,8,10H,1-2,6-7,9H2,(H,21,26)(H2,20,23,24);3-5,9H,1-2,6-8H2,(H,22,27)(H2,21,24,25);3-5,8,10H,1-2,6-7,9H2,(H,21,26)(H2,20,23,24)
• InChIKey: KHAIWFWLEFZTGL-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 894.09 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 59
• Rotatable Bonds: 62
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3394.18
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	59

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-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 159132105) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is CCOc1cc(F)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c(F)c1.CCOc1ccc(F)c(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)c1F.CNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCCc1ccc(F)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(F)cccc1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(F)c1.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is KHAIWFWLEFZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21ClF2N6O3.C19H22F3N7O2.C18H20ClFN6O2.C17H17Cl2FN6O2.C17H18Cl2N6O2.C17H17ClF2N6O2.C17H18ClFN6O2/c1-2-30-13-6-5-12(21)11(14(13)22)9-24-19(29)31-8-4-3-7-28-10-25-15-16(23)26-18(20)27-17(15)28;1-2-30-11-7-13(21)12(14(22)8-11)9-24-19(29)31-6-4-3-5-28-10-25-15-16(23)26-18(20)27-17(15)28;1-24-17-27-15(23)14-16(28-17)29(11-26-14)7-2-3-8-31-18(30)25-10-12-5-4-6-13(9-12)19(20,21)22;19-17-24-15(21)14-16(25-17)26(11-23-14)9-1-2-10-28-18(27)22-8-7-12-3-5-13(20)6-4-12;18-11-4-3-10(7-12(11)20)8-22-17(27)28-6-2-1-5-26-9-23-13-14(21)24-16(19)25-15(13)26;18-12-5-3-4-11(8-12)9-21-17(26)27-7-2-1-6-25-10-22-13-14(20)23-16(19)24-15(13)25;18-16-24-14(21)13-15(25-16)26(9-23-13)6-1-2-7-28-17(27)22-8-10-11(19)4-3-5-12(10)20;18-16-23-14(20)13-15(24-16)25(10-22-13)6-1-2-7-27-17(26)21-9-11-4-3-5-12(19)8-11/h5-6,10H,2-4,7-9H2,1H3,(H,24,29)(H2,23,26,27);7-8,10H,2-6,9H2,1H3,(H,24,29)(H2,23,26,27);4-6,9,11H,2-3,7-8,10H2,1H3,(H,25,30)(H3,23,24,27,28);3-6,11H,1-2,7-10H2,(H,22,27)(H2,21,24,25);3-4,7,9H,1-2,5-6,8H2,(H,22,27)(H2,21,24,25);3-5,8,10H,1-2,6-7,9H2,(H,21,26)(H2,20,23,24);3-5,9H,1-2,6-8H2,(H,22,27)(H2,21,24,25);3-5,8,10H,1-2,6-7,9H2,(H,21,26)(H2,20,23,24).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 3394.18 g/mol, XLogP of 25.95, 62 rotatable bonds, 17 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chloro-3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-ethoxy-2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[2-(4-fluorophenyl)ethyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 159132105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).