6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine

C92H83FN34O7S2 — CID 158217052

IUPAC6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine
SMILESC=CCN(CC=C)c1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1.C[C@@H](Nc1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1)c1ccccc1.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc(F)cc3)nc12.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccoc3)nc12
InChIInChI=1S/C25H22N8S.C23H20FN9O3.C23H22N8S.C21H19N9O4/c1-16(17-7-3-2-4-8-17)28-25-31-23(26-13-21-29-19-9-5-6-10-20(19)30-21)22-24(32-25)33(15-27-22)18-11-12-34-14-18;24-14-4-6-15(7-5-14)32-13-26-20-21(29-23(30-22(20)32)31-8-10-36-11-9-31)25-12-18-27-16-2-1-3-17(33(34)35)19(16)28-18;1-3-10-30(11-4-2)23-28-21(24-13-19-26-17-7-5-6-8-18(17)27-19)20-22(29-23)31(15-25-20)16-9-12-32-14-16;31-30(32)15-3-1-2-14-17(15)25-16(24-14)10-22-19-18-20(29(12-23-18)13-4-7-34-11-13)27-21(26-19)28-5-8-33-9-6-28/h2-12,14-16H,13H2,1H3,(H,29,30)(H2,26,28,31,32);1-7,13H,8-12H2,(H,27,28)(H,25,29,30);3-9,12,14-15H,1-2,10-11,13H2,(H,26,27)(H,24,28,29);1-4,7,11-12H,5-6,8-10H2,(H,24,25)(H,22,26,27)/t16-;;;/m1.../s1
InChIKeyGCUALEOTXIXFLH-UFRNLTNDSA-N
MW1860.04 g/mol
LogP15.91
Rot. Bonds28

About 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine

6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine (PubChem CID 158217052) has the molecular formula C92H83FN34O7S2 and a molecular weight of 1860.04 g/mol. Its IUPAC name is 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine.

Molecular Properties

Compound Name6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine
PubChem CID158217052
Molecular FormulaC92H83FN34O7S2
Molecular Weight1860.04 g/mol
Exact Mass1858.66
IUPAC Name6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine
SMILESC=CCN(CC=C)c1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1.C[C@@H](Nc1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1)c1ccccc1.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc(F)cc3)nc12.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccoc3)nc12
InChIInChI=1S/C25H22N8S.C23H20FN9O3.C23H22N8S.C21H19N9O4/c1-16(17-7-3-2-4-8-17)28-25-31-23(26-13-21-29-19-9-5-6-10-20(19)30-21)22-24(32-25)33(15-27-22)18-11-12-34-14-18;24-14-4-6-15(7-5-14)32-13-26-20-21(29-23(30-22(20)32)31-8-10-36-11-9-31)25-12-18-27-16-2-1-3-17(33(34)35)19(16)28-18;1-3-10-30(11-4-2)23-28-21(24-13-19-26-17-7-5-6-8-18(17)27-19)20-22(29-23)31(15-25-20)16-9-12-32-14-16;31-30(32)15-3-1-2-14-17(15)25-16(24-14)10-22-19-18-20(29(12-23-18)13-4-7-34-11-13)27-21(26-19)28-5-8-33-9-6-28/h2-12,14-16H,13H2,1H3,(H,29,30)(H2,26,28,31,32);1-7,13H,8-12H2,(H,27,28)(H,25,29,30);3-9,12,14-15H,1-2,10-11,13H2,(H,26,27)(H,24,28,29);1-4,7,11-12H,5-6,8-10H2,(H,24,25)(H,22,26,27)/t16-;;;/m1.../s1
InChIKeyGCUALEOTXIXFLH-UFRNLTNDSA-N
XLogP15.91
TPSA476.87 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds28
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001860.04
LogP ≤ 515.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine with MolForge

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-9-thiophen-3-ylpurin-6-amine;N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-9-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)purin-6-amine;9-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157942682
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
ethane;methylcyclohexane;2-methylfuran;5-methyl-1H-imidazole;4-methylmorpholine;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157171659
benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene
CID 157347978
1H-benzimidazole;ethane;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157851928
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 158168070
N-[(4-amino-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-[(6-amino-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;ethyl 2-[[(2-morpholin-4-yl-9-thiophen-3-ylpurin-6-yl)amino]methyl]-1H-benzimidazole-4-carboxylate;2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-propan-2-ylpurin-6-amine
CID 158669368
N-(1H-benzimidazol-2-ylmethyl)-9-(furan-3-yl)-2-piperazin-1-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-(3-methylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine;9-(furan-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-piperazin-1-ylpurin-6-amine
CID 158915751
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;2-methyl-1H-indol-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 160597193
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-9-(furan-3-yl)-2-morpholin-4-ylpurin-6-amine;N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-piperazin-1-yl-9-thiophen-3-ylpurin-6-amine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-9-(furan-3-yl)-2-(4-methylpiperazin-1-yl)purin-6-amine
CID 160987642
cumene;2-methylidene-5-propan-2-yl-1,3-diazinane;2-methylidene-5-propan-2-yl-1,3-oxazinane;2-methylidene-5-propan-2-ylpiperidine;1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-7H-cyclopenta[b]pyridine;propan-2-ylcyclopropane;7-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-yl-2H-imidazo[2,1-b][1,3]thiazol-4-ium;4-propan-2-yl-4H-imidazole;3-propan-2-ylmorpholine;3-propan-2-yloxane;4-propan-2-yloxane;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-yl-3H-pyrrole;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 161066067
ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 161526287

Frequently Asked Questions

What is the IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine?
The IUPAC name of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine (CID 158217052) is 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine.
What is the SMILES notation for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine?
The canonical SMILES for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine is C=CCN(CC=C)c1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1.C[C@@H](Nc1nc(NCc2nc3ccccc3[nH]2)c2ncn(-c3ccsc3)c2n1)c1ccccc1.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccc(F)cc3)nc12.O=[N+]([O-])c1cccc2[nH]c(CNc3nc(N4CCOCC4)nc4c3ncn4-c3ccoc3)nc12.
What is the InChIKey of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine?
The InChIKey is GCUALEOTXIXFLH-UFRNLTNDSA-N. The full InChI is InChI=1S/C25H22N8S.C23H20FN9O3.C23H22N8S.C21H19N9O4/c1-16(17-7-3-2-4-8-17)28-25-31-23(26-13-21-29-19-9-5-6-10-20(19)30-21)22-24(32-25)33(15-27-22)18-11-12-34-14-18;24-14-4-6-15(7-5-14)32-13-26-20-21(29-23(30-22(20)32)31-8-10-36-11-9-31)25-12-18-27-16-2-1-3-17(33(34)35)19(16)28-18;1-3-10-30(11-4-2)23-28-21(24-13-19-26-17-7-5-6-8-18(17)27-19)20-22(29-23)31(15-25-20)16-9-12-32-14-16;31-30(32)15-3-1-2-14-17(15)25-16(24-14)10-22-19-18-20(29(12-23-18)13-4-7-34-11-13)27-21(26-19)28-5-8-33-9-6-28/h2-12,14-16H,13H2,1H3,(H,29,30)(H2,26,28,31,32);1-7,13H,8-12H2,(H,27,28)(H,25,29,30);3-9,12,14-15H,1-2,10-11,13H2,(H,26,27)(H,24,28,29);1-4,7,11-12H,5-6,8-10H2,(H,24,25)(H,22,26,27)/t16-;;;/m1.../s1.
What are the key properties of 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine?
6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine has a molecular weight of 1860.04 g/mol, XLogP of 15.91, 28 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1H-benzimidazol-2-ylmethyl)-2-N,2-N-bis(prop-2-enyl)-9-thiophen-3-ylpurine-2,6-diamine;6-N-(1H-benzimidazol-2-ylmethyl)-2-N-[(1R)-1-phenylethyl]-9-thiophen-3-ylpurine-2,6-diamine;9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine;9-(furan-3-yl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine is sourced from PubChem (CID 158217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).