4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C127H138BrCl11F6N44O14 — CID 159899955

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 159899955) has the molecular formula C127H138BrCl11F6N44O14 and a molecular weight of 3088.67 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• PubChem CID: 159899955
• Molecular Formula: C127H138BrCl11F6N44O14
• Molecular Weight: 3088.67 g/mol
• Exact Mass: 3080.71
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
• SMILES: CN(C)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(Cl)cccc1Cl.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(N2CCCC2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Br)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C21H26ClN7O2.C19H24ClN7O2.C18H17Cl2F3N6O2.C18H18ClF3N6O2.C17H18BrClN6O2.C17H17Cl3N6O2.C17H18Cl2N6O2/c22-20-26-18(23)17-19(27-20)29(14-25-17)11-3-4-12-31-21(30)24-13-15-5-7-16(8-6-15)28-9-1-2-10-28;1-26(2)14-7-5-13(6-8-14)11-22-19(28)29-10-4-3-9-27-12-23-15-16(21)24-18(20)25-17(15)27;19-12-4-3-10(7-11(12)18(21,22)23)8-25-17(30)31-6-2-1-5-29-9-26-13-14(24)27-16(20)28-15(13)29;19-16-26-14(23)13-15(27-16)28(10-25-13)6-1-2-7-30-17(29)24-9-11-4-3-5-12(8-11)18(20,21)22;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;18-11-4-3-5-12(19)10(11)8-22-17(27)28-7-2-1-6-26-9-23-13-14(21)24-16(20)25-15(13)26;18-12-5-3-11(4-6-12)9-21-17(26)27-8-2-1-7-25-10-22-13-14(20)23-16(19)24-15(13)25/h5-8,14H,1-4,9-13H2,(H,24,30)(H2,23,26,27);5-8,12H,3-4,9-11H2,1-2H3,(H,22,28)(H2,21,24,25);3-4,7,9H,1-2,5-6,8H2,(H,25,30)(H2,24,27,28);3-5,8,10H,1-2,6-7,9H2,(H,24,29)(H2,23,26,27);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);3-6,10H,1-2,7-9H2,(H,21,26)(H2,20,23,24)
• InChIKey: NVVBGIQGESYYKP-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 762.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 51
• Rotatable Bonds: 51
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3088.67
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 159899955) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is CN(C)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(Cl)cccc1Cl.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(N2CCCC2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Br)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

The InChIKey is NVVBGIQGESYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN7O2.C19H24ClN7O2.C18H17Cl2F3N6O2.C18H18ClF3N6O2.C17H18BrClN6O2.C17H17Cl3N6O2.C17H18Cl2N6O2/c22-20-26-18(23)17-19(27-20)29(14-25-17)11-3-4-12-31-21(30)24-13-15-5-7-16(8-6-15)28-9-1-2-10-28;1-26(2)14-7-5-13(6-8-14)11-22-19(28)29-10-4-3-9-27-12-23-15-16(21)24-18(20)25-17(15)27;19-12-4-3-10(7-11(12)18(21,22)23)8-25-17(30)31-6-2-1-5-29-9-26-13-14(24)27-16(20)28-15(13)29;19-16-26-14(23)13-15(27-16)28(10-25-13)6-1-2-7-30-17(29)24-9-11-4-3-5-12(8-11)18(20,21)22;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;18-11-4-3-5-12(19)10(11)8-22-17(27)28-7-2-1-6-26-9-23-13-14(21)24-16(20)25-15(13)26;18-12-5-3-11(4-6-12)9-21-17(26)27-8-2-1-7-25-10-22-13-14(20)23-16(19)24-15(13)25/h5-8,14H,1-4,9-13H2,(H,24,30)(H2,23,26,27);5-8,12H,3-4,9-11H2,1-2H3,(H,22,28)(H2,21,24,25);3-4,7,9H,1-2,5-6,8H2,(H,25,30)(H2,24,27,28);3-5,8,10H,1-2,6-7,9H2,(H,24,29)(H2,23,26,27);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);3-6,10H,1-2,7-9H2,(H,21,26)(H2,20,23,24).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 3088.67 g/mol, XLogP of 25.46, 51 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-[(3-bromophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-chlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(dimethylamino)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-pyrrolidin-1-ylphenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 159899955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).