4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate

C170H193Cl8N61O16 — CID 158604623

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate (PubChem CID 158604623) has the molecular formula C170H193Cl8N61O16 and a molecular weight of 3630.45 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate
• PubChem CID: 158604623
• Molecular Formula: C170H193Cl8N61O16
• Molecular Weight: 3630.45 g/mol
• Exact Mass: 3624.37
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate
• SMILES: CC(C)CCn1ccc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.CC(C)n1cnc2cc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)ccc21.CC(C)n1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(-c5cccnc5)nc43)cc21.CC(C)n1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Cn1cc(Cl)c2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Cn1cnc2cc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)ccc21.Cn1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)CC=C2
• InChI: InChI=1S/C26H29N9O2.C24H30ClN7O2.2C21H25ClN8O2.C20H21Cl2N7O2.C20H21ClN6O2.2C19H21ClN8O2/c1-17(2)35-16-30-20-8-7-18(12-21(20)35)13-29-26(36)37-11-4-3-10-34-15-31-22-23(27)32-24(33-25(22)34)19-6-5-9-28-14-19;1-16(2)7-10-31-11-8-18-6-5-17(13-19(18)31)14-27-24(33)34-12-4-3-9-32-15-28-20-21(26)29-23(25)30-22(20)32;1-13(2)30-12-25-15-9-14(5-6-16(15)30)10-24-21(31)32-8-4-3-7-29-11-26-17-18(23)27-20(22)28-19(17)29;1-13(2)30-12-25-15-6-5-14(9-16(15)30)10-24-21(31)32-8-4-3-7-29-11-26-17-18(23)27-20(22)28-19(17)29;1-28-10-14(21)13-5-4-12(8-15(13)28)9-24-20(30)31-7-3-2-6-29-11-25-16-17(23)26-19(22)27-18(16)29;21-19-25-17(22)16-18(26-19)27(12-24-16)8-1-2-9-29-20(28)23-11-13-6-7-14-4-3-5-15(14)10-13;1-27-10-23-13-8-12(4-5-14(13)27)9-22-19(29)30-7-3-2-6-28-11-24-15-16(21)25-18(20)26-17(15)28;1-27-10-23-13-5-4-12(8-14(13)27)9-22-19(29)30-7-3-2-6-28-11-24-15-16(21)25-18(20)26-17(15)28/h5-9,12,14-17H,3-4,10-11,13H2,1-2H3,(H,29,36)(H2,27,32,33);5-6,8,11,13,15-16H,3-4,7,9-10,12,14H2,1-2H3,(H,27,33)(H2,26,29,30);2*5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H,24,31)(H2,23,27,28);4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,24,30)(H2,23,26,27);3-4,6-7,10,12H,1-2,5,8-9,11H2,(H,23,28)(H2,22,25,26);2*4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,22,29)(H2,21,25,26)
• InChIKey: HWBFQMZACGAPSL-UHFFFAOYSA-N
• XLogP: 28.84
• TPSA: 975.45 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 69
• Rotatable Bonds: 63
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3630.45
LogP ≤ 5	28.84
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	69

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-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate (CID 158604623) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate is CC(C)CCn1ccc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.CC(C)n1cnc2cc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)ccc21.CC(C)n1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(-c5cccnc5)nc43)cc21.CC(C)n1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Cn1cc(Cl)c2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Cn1cnc2cc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)ccc21.Cn1cnc2ccc(CNC(=O)OCCCCn3cnc4c(N)nc(Cl)nc43)cc21.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc2c(c1)CC=C2.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate?

The InChIKey is HWBFQMZACGAPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2.C24H30ClN7O2.2C21H25ClN8O2.C20H21Cl2N7O2.C20H21ClN6O2.2C19H21ClN8O2/c1-17(2)35-16-30-20-8-7-18(12-21(20)35)13-29-26(36)37-11-4-3-10-34-15-31-22-23(27)32-24(33-25(22)34)19-6-5-9-28-14-19;1-16(2)7-10-31-11-8-18-6-5-17(13-19(18)31)14-27-24(33)34-12-4-3-9-32-15-28-20-21(26)29-23(25)30-22(20)32;1-13(2)30-12-25-15-9-14(5-6-16(15)30)10-24-21(31)32-8-4-3-7-29-11-26-17-18(23)27-20(22)28-19(17)29;1-13(2)30-12-25-15-6-5-14(9-16(15)30)10-24-21(31)32-8-4-3-7-29-11-26-17-18(23)27-20(22)28-19(17)29;1-28-10-14(21)13-5-4-12(8-15(13)28)9-24-20(30)31-7-3-2-6-29-11-25-16-17(23)26-19(22)27-18(16)29;21-19-25-17(22)16-18(26-19)27(12-24-16)8-1-2-9-29-20(28)23-11-13-6-7-14-4-3-5-15(14)10-13;1-27-10-23-13-8-12(4-5-14(13)27)9-22-19(29)30-7-3-2-6-28-11-24-15-16(21)25-18(20)26-17(15)28;1-27-10-23-13-5-4-12(8-14(13)27)9-22-19(29)30-7-3-2-6-28-11-24-15-16(21)25-18(20)26-17(15)28/h5-9,12,14-17H,3-4,10-11,13H2,1-2H3,(H,29,36)(H2,27,32,33);5-6,8,11,13,15-16H,3-4,7,9-10,12,14H2,1-2H3,(H,27,33)(H2,26,29,30);2*5-6,9,11-13H,3-4,7-8,10H2,1-2H3,(H,24,31)(H2,23,27,28);4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,24,30)(H2,23,26,27);3-4,6-7,10,12H,1-2,5,8-9,11H2,(H,23,28)(H2,22,25,26);2*4-5,8,10-11H,2-3,6-7,9H2,1H3,(H,22,29)(H2,21,25,26).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate has a molecular weight of 3630.45 g/mol, XLogP of 28.84, 63 rotatable bonds, 16 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-chloro-1-methylindol-6-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-(3H-inden-5-ylmethyl)carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-methylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[1-(3-methylbutyl)indol-6-yl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate;4-(6-amino-2-pyridin-3-ylpurin-9-yl)butyl N-[(3-propan-2-ylbenzimidazol-5-yl)methyl]carbamate is sourced from PubChem (CID 158604623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).