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

C90H94N36O3S — CID 158915751

IUPACN-(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
SMILESCC1CN(c2nc(NCc3nc4ccccc4[nH]3)c3ncn(-c4ccsc4)c3n2)CCN1.COc1ccc2nc(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)[nH]c2c1.Cc1cccc(-n2cnc3c(NCc4nc5ccccc5[nH]4)nc(N4CCN(C)CC4)nc32)c1.c1ccc2[nH]c(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)nc2c1
InChIInChI=1S/C25H27N9.C22H23N9O2.C22H23N9S.C21H21N9O/c1-17-6-5-7-18(14-17)34-16-27-22-23(26-15-21-28-19-8-3-4-9-20(19)29-21)30-25(31-24(22)34)33-12-10-32(2)11-13-33;1-32-15-2-3-16-17(10-15)27-18(26-16)11-24-20-19-21(31(13-25-19)14-4-9-33-12-14)29-22(28-20)30-7-5-23-6-8-30;1-14-11-30(8-7-23-14)22-28-20(24-10-18-26-16-4-2-3-5-17(16)27-18)19-21(29-22)31(13-25-19)15-6-9-32-12-15;1-2-4-16-15(3-1)25-17(26-16)11-23-19-18-20(30(13-24-18)14-5-10-31-12-14)28-21(27-19)29-8-6-22-7-9-29/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,29)(H,26,30,31);2-4,9-10,12-13,23H,5-8,11H2,1H3,(H,26,27)(H,24,28,29);2-6,9,12-14,23H,7-8,10-11H2,1H3,(H,26,27)(H,24,28,29);1-5,10,12-13,22H,6-9,11H2,(H,25,26)(H,23,27,28)
InChIKeyJHEZLTNFPSECRV-UHFFFAOYSA-N
MW1760.06 g/mol
LogP11.15
Rot. Bonds21

About 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

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 (PubChem CID 158915751) has the molecular formula C90H94N36O3S and a molecular weight of 1760.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158915751
Molecular FormulaC90H94N36O3S
Molecular Weight1760.06 g/mol
Exact Mass1758.80
IUPAC NameN-(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
SMILESCC1CN(c2nc(NCc3nc4ccccc4[nH]3)c3ncn(-c4ccsc4)c3n2)CCN1.COc1ccc2nc(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)[nH]c2c1.Cc1cccc(-n2cnc3c(NCc4nc5ccccc5[nH]4)nc(N4CCN(C)CC4)nc32)c1.c1ccc2[nH]c(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)nc2c1
InChIInChI=1S/C25H27N9.C22H23N9O2.C22H23N9S.C21H21N9O/c1-17-6-5-7-18(14-17)34-16-27-22-23(26-15-21-28-19-8-3-4-9-20(19)29-21)30-25(31-24(22)34)33-12-10-32(2)11-13-33;1-32-15-2-3-16-17(10-15)27-18(26-16)11-24-20-19-21(31(13-25-19)14-4-9-33-12-14)29-22(28-20)30-7-5-23-6-8-30;1-14-11-30(8-7-23-14)22-28-20(24-10-18-26-16-4-2-3-5-17(16)27-18)19-21(29-22)31(13-25-19)15-6-9-32-12-15;1-2-4-16-15(3-1)25-17(26-16)11-23-19-18-20(30(13-24-18)14-5-10-31-12-14)28-21(27-19)29-8-6-22-7-9-29/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,29)(H,26,30,31);2-4,9-10,12-13,23H,5-8,11H2,1H3,(H,26,27)(H,24,28,29);2-6,9,12-14,23H,7-8,10-11H2,1H3,(H,26,27)(H,24,28,29);1-5,10,12-13,22H,6-9,11H2,(H,25,26)(H,23,27,28)
InChIKeyJHEZLTNFPSECRV-UHFFFAOYSA-N
XLogP11.15
TPSA425.04 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001760.06
LogP ≤ 511.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
CID 157179881
CID 157179881
5-methyl-5H-cyclopenta[c]pyridin-1-amine;6-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;bis(2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine);2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;bis(3-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine);2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157409239
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 157486329
5-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157587435
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-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
CID 157601148
5-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-7H-cyclopenta[c]pyridin-1-amine;6-methyl-5H-cyclopenta[c]pyridin-1-amine;6-methyl-7H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-3H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157607108
5-methyl-2H-benzotriazole;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;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 157622107
2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);3-methylimidazo[4,5-c]pyridin-4-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;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 157624043
methane;5-methyl-5H-cyclopenta[c]pyridin-1-amine;6-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);1-methylpyrrolo[3,2-c]pyridin-4-amine;2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;3-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157671767
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-phenylquinoxaline-6-carboxamide;2-cyclopenta-1,4-dien-1-yl-3-(furan-3-yl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide;2-cyclopenta-1,4-dien-1-yl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylquinoxaline-6-carboxamide;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;(2-methyl-3-phenylquinoxalin-6-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone;(2-methyl-3-phenylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-(2-pyridin-3-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide;N-(2-pyridin-4-ylethyl)-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 157741695

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(c2nc(NCc3nc4ccccc4[nH]3)c3ncn(-c4ccsc4)c3n2)CCN1.COc1ccc2nc(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)[nH]c2c1.Cc1cccc(-n2cnc3c(NCc4nc5ccccc5[nH]4)nc(N4CCN(C)CC4)nc32)c1.c1ccc2[nH]c(CNc3nc(N4CCNCC4)nc4c3ncn4-c3ccoc3)nc2c1.
What is the InChIKey of 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?
The InChIKey is JHEZLTNFPSECRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9.C22H23N9O2.C22H23N9S.C21H21N9O/c1-17-6-5-7-18(14-17)34-16-27-22-23(26-15-21-28-19-8-3-4-9-20(19)29-21)30-25(31-24(22)34)33-12-10-32(2)11-13-33;1-32-15-2-3-16-17(10-15)27-18(26-16)11-24-20-19-21(31(13-25-19)14-4-9-33-12-14)29-22(28-20)30-7-5-23-6-8-30;1-14-11-30(8-7-23-14)22-28-20(24-10-18-26-16-4-2-3-5-17(16)27-18)19-21(29-22)31(13-25-19)15-6-9-32-12-15;1-2-4-16-15(3-1)25-17(26-16)11-23-19-18-20(30(13-24-18)14-5-10-31-12-14)28-21(27-19)29-8-6-22-7-9-29/h3-9,14,16H,10-13,15H2,1-2H3,(H,28,29)(H,26,30,31);2-4,9-10,12-13,23H,5-8,11H2,1H3,(H,26,27)(H,24,28,29);2-6,9,12-14,23H,7-8,10-11H2,1H3,(H,26,27)(H,24,28,29);1-5,10,12-13,22H,6-9,11H2,(H,25,26)(H,23,27,28).
What are the key properties of 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?
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 has a molecular weight of 1760.06 g/mol, XLogP of 11.15, 21 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158915751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).