(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine

C128H124Cl2F5N47O2S — CID 161235062

IUPAC(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILESCN1CCC(n2cnc3c(NCc4ccccc4)nc(F)nc32)C1.COc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cn1cc2c(NCc3ccccc3)nc(Cl)nc2n1.Cn1ccc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc21.Cn1cnc2c(NCc3ccccc3)nc(Cl)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1cnc2c(SCc3ccccc3)nc(F)nc21.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C22H23N5O.C17H19FN6.C14H14FN5O.2C13H12ClN5.C13H11FN4S.C12H11FN6.C12H10FN5.C12H12N6/c1-27-13-12-18-20(23-14-16-8-4-2-5-9-16)25-22(26-21(18)27)24-19(15-28)17-10-6-3-7-11-17;1-23-8-7-13(10-23)24-11-20-14-15(21-17(18)22-16(14)24)19-9-12-5-3-2-4-6-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-8-10-11(16-13(14)17-12(10)18-19)15-7-9-5-3-2-4-6-9;1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8;2*13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h2-13,19,28H,14-15H2,1H3,(H2,23,24,25,26);2-6,11,13H,7-10H2,1H3,(H,19,21,22);3-6,8H,7H2,1-2H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H,15,16,17,18);2-6,8H,7H2,1H3;2-5,7H,6H2,1H3,(H,15,17,18);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7H,6H2,(H4,13,14,15,16,17,18)/t19-;;;;;;;;/m1......../s1
InChIKeyUZGHGUPLVYTQNS-MUMIGORTSA-N
MW2550.69 g/mol
LogP21.52
Rot. Bonds33

About (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine

(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine (PubChem CID 161235062) has the molecular formula C128H124Cl2F5N47O2S and a molecular weight of 2550.69 g/mol. Its IUPAC name is (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
PubChem CID161235062
Molecular FormulaC128H124Cl2F5N47O2S
Molecular Weight2550.69 g/mol
Exact Mass2548.01
IUPAC Name(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine
SMILESCN1CCC(n2cnc3c(NCc4ccccc4)nc(F)nc32)C1.COc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cn1cc2c(NCc3ccccc3)nc(Cl)nc2n1.Cn1ccc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc21.Cn1cnc2c(NCc3ccccc3)nc(Cl)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1cnc2c(SCc3ccccc3)nc(F)nc21.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C22H23N5O.C17H19FN6.C14H14FN5O.2C13H12ClN5.C13H11FN4S.C12H11FN6.C12H10FN5.C12H12N6/c1-27-13-12-18-20(23-14-16-8-4-2-5-9-16)25-22(26-21(18)27)24-19(15-28)17-10-6-3-7-11-17;1-23-8-7-13(10-23)24-11-20-14-15(21-17(18)22-16(14)24)19-9-12-5-3-2-4-6-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-8-10-11(16-13(14)17-12(10)18-19)15-7-9-5-3-2-4-6-9;1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8;2*13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h2-13,19,28H,14-15H2,1H3,(H2,23,24,25,26);2-6,11,13H,7-10H2,1H3,(H,19,21,22);3-6,8H,7H2,1-2H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H,15,16,17,18);2-6,8H,7H2,1H3;2-5,7H,6H2,1H3,(H,15,17,18);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7H,6H2,(H4,13,14,15,16,17,18)/t19-;;;;;;;;/m1......../s1
InChIKeyUZGHGUPLVYTQNS-MUMIGORTSA-N
XLogP21.52
TPSA581.11 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002550.69
LogP ≤ 521.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine with MolForge

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Related Compounds

bis(1H-benzimidazole);5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyridin-3-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 158030834
2-[5-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole;5-(1H-imidazol-2-yl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole;4-[3-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxypropyl]morpholine
CID 158377509
3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158886850
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 159652200
N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;4,5-dimethyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;4-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;5-methyl-N-[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-1,3-thiazol-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-amine
CID 159662883
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyridin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyridine;2H-indene;1H-indole;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161254517
6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161353697
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;3-ethylpyridine;N-ethynyl-2-pyridin-4-ylethanamine;2-fluoro-3-methylpyridine;4-fluoropyridine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
CID 161692321
3-(indolizin-7-ylmethyl)-5-[1-(2-methoxyethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-pyridin-4-yltriazolo[4,5-b]pyrazine;3-(indolizin-7-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;5-(4-methoxyphenyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(thieno[2,3-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 161995099
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
[3-[4-amino-6-[4-(difluoromethoxy)anilino]-5-fluoropyrimidin-2-yl]-5-fluoropyrazolo[1,5-a]pyridin-2-yl]methanol;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-4,6-diamine;2-(2-methylsulfanylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 163606253
N-benzyl-2-chloro-7H-purin-6-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;N-benzyl-9-methyl-2-nitropurin-6-amine;N-benzyl-9-methylpurin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;(2S)-2-[[6-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-7H-purin-2-yl]amino]-2-phenylethanol;2-fluoro-9-methyl-6-phenylmethoxypurine
CID 157204187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The IUPAC name of (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine (CID 161235062) is (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine.
What is the SMILES notation for (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The canonical SMILES for (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine is CN1CCC(n2cnc3c(NCc4ccccc4)nc(F)nc32)C1.COc1cccc(CNc2nc(F)nc3c2ncn3C)c1.Cn1cc2c(NCc3ccccc3)nc(Cl)nc2n1.Cn1ccc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc21.Cn1cnc2c(NCc3ccccc3)nc(Cl)nc21.Cn1cnc2c(NCc3cccnc3)nc(F)nc21.Cn1cnc2c(SCc3ccccc3)nc(F)nc21.Fc1nc(NCc2ccccc2)c2[nH]cnc2n1.Nc1nc(NCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
The InChIKey is UZGHGUPLVYTQNS-MUMIGORTSA-N. The full InChI is InChI=1S/C22H23N5O.C17H19FN6.C14H14FN5O.2C13H12ClN5.C13H11FN4S.C12H11FN6.C12H10FN5.C12H12N6/c1-27-13-12-18-20(23-14-16-8-4-2-5-9-16)25-22(26-21(18)27)24-19(15-28)17-10-6-3-7-11-17;1-23-8-7-13(10-23)24-11-20-14-15(21-17(18)22-16(14)24)19-9-12-5-3-2-4-6-12;1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-4-3-5-10(6-9)21-2;1-19-8-16-10-11(17-13(14)18-12(10)19)15-7-9-5-3-2-4-6-9;1-19-8-10-11(16-13(14)17-12(10)18-19)15-7-9-5-3-2-4-6-9;1-18-8-15-10-11(18)16-13(14)17-12(10)19-7-9-5-3-2-4-6-9;1-19-7-16-9-10(17-12(13)18-11(9)19)15-6-8-3-2-4-14-5-8;2*13-12-17-10(9-11(18-12)16-7-15-9)14-6-8-4-2-1-3-5-8/h2-13,19,28H,14-15H2,1H3,(H2,23,24,25,26);2-6,11,13H,7-10H2,1H3,(H,19,21,22);3-6,8H,7H2,1-2H3,(H,16,18,19);2-6,8H,7H2,1H3,(H,15,17,18);2-6,8H,7H2,1H3,(H,15,16,17,18);2-6,8H,7H2,1H3;2-5,7H,6H2,1H3,(H,15,17,18);1-5,7H,6H2,(H2,14,15,16,17,18);1-5,7H,6H2,(H4,13,14,15,16,17,18)/t19-;;;;;;;;/m1......../s1.
What are the key properties of (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine?
(2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine has a molecular weight of 2550.69 g/mol, XLogP of 21.52, 33 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-phenylethanol;N-benzyl-2-chloro-9-methylpurin-6-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-2-fluoro-9-(1-methylpyrrolidin-3-yl)purin-6-amine;N-benzyl-2-fluoro-7H-purin-6-amine;6-N-benzyl-7H-purine-2,6-diamine;6-benzylsulfanyl-2-fluoro-9-methylpurine;2-fluoro-N-[(3-methoxyphenyl)methyl]-9-methylpurin-6-amine;2-fluoro-9-methyl-N-(pyridin-3-ylmethyl)purin-6-amine is sourced from PubChem (CID 161235062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).