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

C157H162BrCl13F13N55O18 — CID 159208098

IUPAC4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(Cl)cccc1Cl.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(F)cccc1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Br)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H22F3N7O2.C18H17Cl2F3N6O2.C18H18ClF3N6O2.C17H18BrClN6O2.C17H17Cl3N6O2.C17H17Cl2FN6O2.C17H18Cl2N6O2.C17H17ClF2N6O2.C17H18ClFN6O2/c1-24-17-27-15(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;19-12-4-3-10(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;18-11-4-3-10(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/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,25,30)(H3,23,24,27,28);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);3-4,7,9H,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)
InChIKeyKQDFWTYNZOOACR-UHFFFAOYSA-N
MW3895.16 g/mol
LogP31.95
Rot. Bonds64

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 159208098) has the molecular formula C157H162BrCl13F13N55O18 and a molecular weight of 3895.16 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-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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID159208098
Molecular FormulaC157H162BrCl13F13N55O18
Molecular Weight3895.16 g/mol
Exact Mass3885.84
IUPAC Name4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(Cl)cccc1Cl.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(F)cccc1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Br)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Cl)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H22F3N7O2.C18H17Cl2F3N6O2.C18H18ClF3N6O2.C17H18BrClN6O2.C17H17Cl3N6O2.C17H17Cl2FN6O2.C17H18Cl2N6O2.C17H17ClF2N6O2.C17H18ClFN6O2/c1-24-17-27-15(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;19-12-4-3-10(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;18-11-4-3-10(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/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,25,30)(H3,23,24,27,28);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);3-4,7,9H,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)
InChIKeyKQDFWTYNZOOACR-UHFFFAOYSA-N
XLogP31.95
TPSA983.58 Ų
H-Bond Donors19
H-Bond Acceptors64
Rotatable Bonds64
Heavy Atoms257
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003895.16
LogP ≤ 531.95
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

Analyze 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate with MolForge

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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-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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 159208098) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is CNc1nc(N)c2ncn(CCCCOC(=O)NCc3cccc(C(F)(F)F)c3)c2n1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(Cl)cccc1Cl.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1c(F)cccc1F.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(Cl)c(F)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(Br)c1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(C(F)(F)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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is KQDFWTYNZOOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2.C18H17Cl2F3N6O2.C18H18ClF3N6O2.C17H18BrClN6O2.C17H17Cl3N6O2.C17H17Cl2FN6O2.C17H18Cl2N6O2.C17H17ClF2N6O2.C17H18ClFN6O2/c1-24-17-27-15(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;19-12-4-3-10(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;18-11-4-3-10(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/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,25,30)(H3,23,24,27,28);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);3-4,7,9H,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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]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-[(3-bromophenyl)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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 3895.16 g/mol, XLogP of 31.95, 64 rotatable bonds, 19 hydrogen bond donors, and 64 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-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-[[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-[(2,6-difluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-fluorophenyl)methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 159208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).