acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride

C101H112Br3Cl2N41O11 — CID 159227063

IUPACacetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride
SMILESBrBr.CC(=O)O.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(N)=O)cc3)c2n1.CN(C)CCOc1nc(N)c2nc(Br)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2ncn(Cc3ccc(C#N)cc3)c2n1.COc1nc2c(N)nc(OCCN(C)C)nc2n1Cc1ccc(C#N)cc1.Cl.N#Cc1ccc(Cn2cnc3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C18H21N7O2.C17H18BrN7O.C17H21N7O3.C17H19N7O2.C17H19N7O.C13H9ClN6.C2H4O2.Br2.ClH/c1-24(2)8-9-27-17-22-15(20)14-16(23-17)25(18(21-14)26-3)11-13-6-4-12(10-19)5-7-13;1-24(2)7-8-26-17-22-14(20)13-15(23-17)25(16(18)21-13)10-12-5-3-11(9-19)4-6-12;1-23(2)7-8-27-16-21-13(18)12-15(22-16)24(17(26)20-12)9-10-3-5-11(6-4-10)14(19)25;1-23(2)7-8-26-16-21-14(19)13-15(22-16)24(17(25)20-13)10-12-5-3-11(9-18)4-6-12;1-23(2)7-8-25-17-21-15(19)14-16(22-17)24(11-20-14)10-13-5-3-12(9-18)4-6-13;14-13-18-11(16)10-12(19-13)20(7-17-10)6-9-3-1-8(5-15)2-4-9;1-2(3)4;1-2;/h4-7H,8-9,11H2,1-3H3,(H2,20,22,23);3-6H,7-8,10H2,1-2H3,(H2,20,22,23);3-6H,7-9H2,1-2H3,(H2,19,25)(H,20,26)(H2,18,21,22);3-6H,7-8,10H2,1-2H3,(H,20,25)(H2,19,21,22);3-6,11H,7-8,10H2,1-2H3,(H2,19,21,22);1-4,7H,6H2,(H2,16,18,19);1H3,(H,3,4);;1H
InChIKeyZLEZVEPFGMJGNZ-UHFFFAOYSA-N
MW2386.90 g/mol
LogP9.12
Rot. Bonds34

About acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride

acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride (PubChem CID 159227063) has the molecular formula C101H112Br3Cl2N41O11 and a molecular weight of 2386.90 g/mol. Its IUPAC name is acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride.

Molecular Properties

Compound Nameacetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride
PubChem CID159227063
Molecular FormulaC101H112Br3Cl2N41O11
Molecular Weight2386.90 g/mol
Exact Mass2381.64
IUPAC Nameacetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride
SMILESBrBr.CC(=O)O.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(N)=O)cc3)c2n1.CN(C)CCOc1nc(N)c2nc(Br)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2ncn(Cc3ccc(C#N)cc3)c2n1.COc1nc2c(N)nc(OCCN(C)C)nc2n1Cc1ccc(C#N)cc1.Cl.N#Cc1ccc(Cn2cnc3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C18H21N7O2.C17H18BrN7O.C17H21N7O3.C17H19N7O2.C17H19N7O.C13H9ClN6.C2H4O2.Br2.ClH/c1-24(2)8-9-27-17-22-15(20)14-16(23-17)25(18(21-14)26-3)11-13-6-4-12(10-19)5-7-13;1-24(2)7-8-26-17-22-14(20)13-15(23-17)25(16(18)21-13)10-12-5-3-11(9-19)4-6-12;1-23(2)7-8-27-16-21-13(18)12-15(22-16)24(17(26)20-12)9-10-3-5-11(6-4-10)14(19)25;1-23(2)7-8-26-16-21-14(19)13-15(22-16)24(17(25)20-13)10-12-5-3-11(9-18)4-6-12;1-23(2)7-8-25-17-21-15(19)14-16(22-17)24(11-20-14)10-13-5-3-12(9-18)4-6-13;14-13-18-11(16)10-12(19-13)20(7-17-10)6-9-3-1-8(5-15)2-4-9;1-2(3)4;1-2;/h4-7H,8-9,11H2,1-3H3,(H2,20,22,23);3-6H,7-8,10H2,1-2H3,(H2,20,22,23);3-6H,7-9H2,1-2H3,(H2,19,25)(H,20,26)(H2,18,21,22);3-6H,7-8,10H2,1-2H3,(H,20,25)(H2,19,21,22);3-6,11H,7-8,10H2,1-2H3,(H2,19,21,22);1-4,7H,6H2,(H2,16,18,19);1H3,(H,3,4);;1H
InChIKeyZLEZVEPFGMJGNZ-UHFFFAOYSA-N
XLogP9.12
TPSA728.58 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.90
LogP ≤ 59.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride 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

Ethyl 2-[6-(benzylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[6-chloro-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-(6-chloro-2-methylpurin-9-yl)acetate;ethyl 2-[6-morpholin-4-yl-2-(pentanoylamino)purin-9-yl]acetate
CID 157135332
2-[2-[(4-Cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(propylamino)purin-9-yl]acetic acid;ethyl 2-(2-amino-6-chloropurin-9-yl)acetate;ethyl 2-[6-chloro-2-[(4-hexan-3-ylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(3-methylbutylamino)purin-9-yl]acetate
CID 157232836
tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate;ethyl 2-[6-chloro-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[6-chloro-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetate;ethyl 2-[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetate
CID 157293616
Ethyl 2-[6-(butylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[2-(cyclohexanecarbonylamino)-6-morpholin-4-ylpurin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylbenzoyl)amino]-6-morpholin-4-ylpurin-9-yl]acetate;ethyl 2-(2-methyl-6-morpholin-4-ylpurin-9-yl)acetate;ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-morpholin-4-ylpurin-9-yl]acetate
CID 157466802
2-[6-(Benzylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetic acid;2-[2-(cyclohexanecarbonylamino)-6-morpholin-4-ylpurin-9-yl]acetic acid;2-[2-[(4-cyclohexylbenzoyl)amino]-6-morpholin-4-ylpurin-9-yl]acetic acid;ethyl 2-[6-(butylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate
CID 157864175
2-[2-[(4-Cyclohexylbenzoyl)amino]-6-morpholin-4-ylpurin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methylamino]-6-(3-methylbutylamino)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methylamino]-6-morpholin-4-ylpurin-9-yl]acetic acid;2-[2-(pentylamino)-6-(prop-2-enylamino)purin-9-yl]acetic acid
CID 158169824
benzoyl chloride;tert-butyl 2-[[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]carbamoyl]pyrrolidine-1-carboxylate;dichloromethane;N-[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]benzamide;N-[6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-yl]pyrrolidine-2-carboxamide;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158254750
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoic acid;4-[[6-chloro-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile
CID 158388727
Ethyl 2-[6-(benzylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[6-(butylamino)-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylbenzoyl)amino]-6-morpholin-4-ylpurin-9-yl]acetate
CID 158947548
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile;methane;methyl 4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate;molecular bromine
CID 159331518
3-[(6-amino-8-bromo-2-cyclobutyloxypurin-9-yl)methyl]benzonitrile;3-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;3-[(6-amino-2-cyclobutyloxy-8-methoxypurin-9-yl)methyl]benzonitrile;3-[(6-amino-2-cyclobutyloxy-8-oxo-7H-purin-9-yl)methyl]benzonitrile;3-[(6-amino-2-cyclobutyloxypurin-9-yl)methyl]benzonitrile
CID 159472226
4-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;2,6-dichloro-7H-purine;4-[(2,6-dichloropurin-9-yl)methyl]benzonitrile;methyl 4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzoate;molecular bromine
CID 159622245

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride?
The IUPAC name of acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride (CID 159227063) is acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride.
What is the SMILES notation for acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride?
The canonical SMILES for acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride is BrBr.CC(=O)O.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(N)=O)cc3)c2n1.CN(C)CCOc1nc(N)c2nc(Br)n(Cc3ccc(C#N)cc3)c2n1.CN(C)CCOc1nc(N)c2ncn(Cc3ccc(C#N)cc3)c2n1.COc1nc2c(N)nc(OCCN(C)C)nc2n1Cc1ccc(C#N)cc1.Cl.N#Cc1ccc(Cn2cnc3c(N)nc(Cl)nc32)cc1.
What is the InChIKey of acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride?
The InChIKey is ZLEZVEPFGMJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2.C17H18BrN7O.C17H21N7O3.C17H19N7O2.C17H19N7O.C13H9ClN6.C2H4O2.Br2.ClH/c1-24(2)8-9-27-17-22-15(20)14-16(23-17)25(18(21-14)26-3)11-13-6-4-12(10-19)5-7-13;1-24(2)7-8-26-17-22-14(20)13-15(23-17)25(16(18)21-13)10-12-5-3-11(9-19)4-6-12;1-23(2)7-8-27-16-21-13(18)12-15(22-16)24(17(26)20-12)9-10-3-5-11(6-4-10)14(19)25;1-23(2)7-8-26-16-21-14(19)13-15(22-16)24(17(25)20-13)10-12-5-3-11(9-18)4-6-12;1-23(2)7-8-25-17-21-15(19)14-16(22-17)24(11-20-14)10-13-5-3-12(9-18)4-6-13;14-13-18-11(16)10-12(19-13)20(7-17-10)6-9-3-1-8(5-15)2-4-9;1-2(3)4;1-2;/h4-7H,8-9,11H2,1-3H3,(H2,20,22,23);3-6H,7-8,10H2,1-2H3,(H2,20,22,23);3-6H,7-9H2,1-2H3,(H2,19,25)(H,20,26)(H2,18,21,22);3-6H,7-8,10H2,1-2H3,(H,20,25)(H2,19,21,22);3-6,11H,7-8,10H2,1-2H3,(H2,19,21,22);1-4,7H,6H2,(H2,16,18,19);1H3,(H,3,4);;1H.
What are the key properties of acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride?
acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride has a molecular weight of 2386.90 g/mol, XLogP of 9.12, 34 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[[6-amino-8-bromo-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;4-[(6-amino-2-chloropurin-9-yl)methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-methoxypurin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzamide;4-[[6-amino-2-[2-(dimethylamino)ethoxy]-8-oxo-7H-purin-9-yl]methyl]benzonitrile;4-[[6-amino-2-[2-(dimethylamino)ethoxy]purin-9-yl]methyl]benzonitrile;molecular bromine;hydrochloride is sourced from PubChem (CID 159227063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).