3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride

C144H200Cl6N40O8 — CID 157243801

IUPAC3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)NCc1cccc(Nc2nc(CC3CCC(N(C)C)CC3)nc3c2ncn3C(C)C)c1.CC(C)(C)OC(=O)NCc1cccc(N)c1.CC(C)n1cnc2c(Cl)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc(CN)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(Cl)nc21.CN(C)C1CCC(N)CC1.Clc1nc(Cl)c2c(n1)CC=N2.NCc1cccc(N)c1
InChIInChI=1S/C29H43N7O2.C27H37N7O.C24H35N7.C20H25ClN6O2.C12H18N2O2.C8H8Cl2N4.C8H18N2.C7H10N2.C6H3Cl2N3.C3H3ClO/c1-19(2)36-18-31-25-26(32-22-10-8-9-21(15-22)17-30-28(37)38-29(3,4)5)33-24(34-27(25)36)16-20-11-13-23(14-12-20)35(6)7;1-6-24(35)28-16-20-8-7-9-21(14-20)30-26-25-27(34(17-29-25)18(2)3)32-23(31-26)15-19-10-12-22(13-11-19)33(4)5;1-16(2)31-15-26-22-23(27-19-7-5-6-18(12-19)14-25)28-21(29-24(22)31)13-17-8-10-20(11-9-17)30(3)4;1-12(2)27-11-23-15-16(25-18(21)26-17(15)27)24-14-8-6-7-13(9-14)10-22-19(28)29-20(3,4)5;1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-10(2)8-5-3-7(9)4-6-8;8-5-6-2-1-3-7(9)4-6;7-5-4-3(1-2-9-4)10-6(8)11-5;1-2-3(4)5/h8-10,15,18-20,23H,11-14,16-17H2,1-7H3,(H,30,37)(H,32,33,34);6-9,14,17-19,22H,1,10-13,15-16H2,2-5H3,(H,28,35)(H,30,31,32);5-7,12,15-17,20H,8-11,13-14,25H2,1-4H3,(H,27,28,29);6-9,11-12H,10H2,1-5H3,(H,22,28)(H,24,25,26);4-7H,8,13H2,1-3H3,(H,14,15);3-4H,1-2H3;7-8H,3-6,9H2,1-2H3;1-4H,5,8-9H2;2H,1H2;2H,1H2
InChIKeyAVNBSFUWYQQXKI-UHFFFAOYSA-N
MW2832.17 g/mol
LogP29.09
Rot. Bonds35

About 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride

3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride (PubChem CID 157243801) has the molecular formula C144H200Cl6N40O8 and a molecular weight of 2832.17 g/mol. Its IUPAC name is 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride.

Molecular Properties

Compound Name3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride
PubChem CID157243801
Molecular FormulaC144H200Cl6N40O8
Molecular Weight2832.17 g/mol
Exact Mass2827.46
IUPAC Name3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)NCc1cccc(Nc2nc(CC3CCC(N(C)C)CC3)nc3c2ncn3C(C)C)c1.CC(C)(C)OC(=O)NCc1cccc(N)c1.CC(C)n1cnc2c(Cl)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc(CN)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(Cl)nc21.CN(C)C1CCC(N)CC1.Clc1nc(Cl)c2c(n1)CC=N2.NCc1cccc(N)c1
InChIInChI=1S/C29H43N7O2.C27H37N7O.C24H35N7.C20H25ClN6O2.C12H18N2O2.C8H8Cl2N4.C8H18N2.C7H10N2.C6H3Cl2N3.C3H3ClO/c1-19(2)36-18-31-25-26(32-22-10-8-9-21(15-22)17-30-28(37)38-29(3,4)5)33-24(34-27(25)36)16-20-11-13-23(14-12-20)35(6)7;1-6-24(35)28-16-20-8-7-9-21(14-20)30-26-25-27(34(17-29-25)18(2)3)32-23(31-26)15-19-10-12-22(13-11-19)33(4)5;1-16(2)31-15-26-22-23(27-19-7-5-6-18(12-19)14-25)28-21(29-24(22)31)13-17-8-10-20(11-9-17)30(3)4;1-12(2)27-11-23-15-16(25-18(21)26-17(15)27)24-14-8-6-7-13(9-14)10-22-19(28)29-20(3,4)5;1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-10(2)8-5-3-7(9)4-6-8;8-5-6-2-1-3-7(9)4-6;7-5-4-3(1-2-9-4)10-6(8)11-5;1-2-3(4)5/h8-10,15,18-20,23H,11-14,16-17H2,1-7H3,(H,30,37)(H,32,33,34);6-9,14,17-19,22H,1,10-13,15-16H2,2-5H3,(H,28,35)(H,30,31,32);5-7,12,15-17,20H,8-11,13-14,25H2,1-4H3,(H,27,28,29);6-9,11-12H,10H2,1-5H3,(H,22,28)(H,24,25,26);4-7H,8,13H2,1-3H3,(H,14,15);3-4H,1-2H3;7-8H,3-6,9H2,1-2H3;1-4H,5,8-9H2;2H,1H2;2H,1H2
InChIKeyAVNBSFUWYQQXKI-UHFFFAOYSA-N
XLogP29.09
TPSA608.48 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds35
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002832.17
LogP ≤ 529.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride with MolForge

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Related Compounds

tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid
CID 157166867
2-[6-anilino-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;2-[6-[benzyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;tert-butyl 2-amino-6-chloropurine-9-carboxylate;tert-butyl N-(6-chloro-7H-purin-2-yl)carbamate;2-[2-(pentylamino)-6-(propan-2-ylamino)purin-9-yl]acetic acid
CID 157468140
tert-butyl N-[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]cyclohexyl]carbamate;tert-butyl N-[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]cyclohexyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]cyclohexyl]prop-2-enamide;1-N-[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]cyclohexane-1,3-diamine;4-N,4-N-dimethylcyclohexane-1,4-diamine;3-methylcyclohexan-1-amine;prop-2-enoyl chloride
CID 157554933
tert-butyl 7-chloro-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate;bis(8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine);8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 157800431
tert-butyl (2S)-2-[2-(5-amino-6-chloropyrimidin-4-yl)ethynyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-ethynylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)pyrrolidine-1-carboxylate;4,6-dichloropyrimidin-5-amine;4-phenyl-6-[(2S)-pyrrolidin-2-yl]-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 157922251
2-bromo-4-(5-chloro-3-pyridinyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridine;tert-butyl (3R)-4-[4-(3-chlorophenyl)-6-isocyano-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(1-fluorocyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[1-(4-methylcyclohexyl)ethyl]-2-[(2R)-2-methylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;1-fluorocyclopropane-1-carboxylic acid
CID 157986157
bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)
CID 158243361
(2S)-2-N-[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]-3-methylbutane-1,2-diamine;(2S)-2-N-[6-(2-amino-5,6-dimethylbenzimidazol-1-yl)pyrimidin-4-yl]-3-methylbutane-1,2-diamine;tert-butyl N-[(2S)-2-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methylbutyl]carbamate;tert-butyl 3-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;5,6-dimethyl-1-[6-(piperidin-3-ylamino)pyrimidin-4-yl]benzimidazol-2-amine;1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]benzimidazol-2-amine;1-[6-(piperidin-3-ylamino)pyrimidin-4-yl]benzimidazol-2-amine
CID 158325103
Tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 158357889
acetyl acetate;1-[4-[5-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-8-amino-3-methylimidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-(8-amino-3-methyl-5-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;1-[4-[8-amino-3-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea;tert-butyl 5-(8-amino-1-iodo-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-[8-amino-3-methyl-1-[4-[(3-methylphenyl)carbamoylamino]naphthalen-1-yl]imidazo[1,5-a]pyrazin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(8-chloro-3-methylimidazo[1,5-a]pyrazin-5-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;8-chloro-5-iodo-3-methylimidazo[1,5-a]pyrazine
CID 158596179
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride?
The IUPAC name of 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride (CID 157243801) is 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride.
What is the SMILES notation for 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride?
The canonical SMILES for 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)NCc1cccc(Nc2nc(CC3CCC(N(C)C)CC3)nc3c2ncn3C(C)C)c1.CC(C)(C)OC(=O)NCc1cccc(N)c1.CC(C)n1cnc2c(Cl)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc(CN)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(CC3CCC(N(C)C)CC3)nc21.CC(C)n1cnc2c(Nc3cccc(CNC(=O)OC(C)(C)C)c3)nc(Cl)nc21.CN(C)C1CCC(N)CC1.Clc1nc(Cl)c2c(n1)CC=N2.NCc1cccc(N)c1.
What is the InChIKey of 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride?
The InChIKey is AVNBSFUWYQQXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O2.C27H37N7O.C24H35N7.C20H25ClN6O2.C12H18N2O2.C8H8Cl2N4.C8H18N2.C7H10N2.C6H3Cl2N3.C3H3ClO/c1-19(2)36-18-31-25-26(32-22-10-8-9-21(15-22)17-30-28(37)38-29(3,4)5)33-24(34-27(25)36)16-20-11-13-23(14-12-20)35(6)7;1-6-24(35)28-16-20-8-7-9-21(14-20)30-26-25-27(34(17-29-25)18(2)3)32-23(31-26)15-19-10-12-22(13-11-19)33(4)5;1-16(2)31-15-26-22-23(27-19-7-5-6-18(12-19)14-25)28-21(29-24(22)31)13-17-8-10-20(11-9-17)30(3)4;1-12(2)27-11-23-15-16(25-18(21)26-17(15)27)24-14-8-6-7-13(9-14)10-22-19(28)29-20(3,4)5;1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-10(2)8-5-3-7(9)4-6-8;8-5-6-2-1-3-7(9)4-6;7-5-4-3(1-2-9-4)10-6(8)11-5;1-2-3(4)5/h8-10,15,18-20,23H,11-14,16-17H2,1-7H3,(H,30,37)(H,32,33,34);6-9,14,17-19,22H,1,10-13,15-16H2,2-5H3,(H,28,35)(H,30,31,32);5-7,12,15-17,20H,8-11,13-14,25H2,1-4H3,(H,27,28,29);6-9,11-12H,10H2,1-5H3,(H,22,28)(H,24,25,26);4-7H,8,13H2,1-3H3,(H,14,15);3-4H,1-2H3;7-8H,3-6,9H2,1-2H3;1-4H,5,8-9H2;2H,1H2;2H,1H2.
What are the key properties of 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride?
3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride has a molecular weight of 2832.17 g/mol, XLogP of 29.09, 35 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)aniline;N-[3-(aminomethyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-amine;tert-butyl N-[(3-aminophenyl)methyl]carbamate;tert-butyl N-[[3-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]phenyl]methyl]carbamate;tert-butyl N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]carbamate;2,6-dichloro-9-propan-2-ylpurine;2,4-dichloro-7H-pyrrolo[3,2-d]pyrimidine;N-[[3-[[2-[[4-(dimethylamino)cyclohexyl]methyl]-9-propan-2-ylpurin-6-yl]amino]phenyl]methyl]prop-2-enamide;4-N,4-N-dimethylcyclohexane-1,4-diamine;prop-2-enoyl chloride is sourced from PubChem (CID 157243801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).