2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

C143H167N41O15 — CID 159694267

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.COc1ccc(N(C)c2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1
InChIInChI=1S/2C26H31N7O3.C25H29N7O2.C25H28N6O4.C24H27N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(15-17)28-26-29-22-23(31-26)30-25(32-24(22)33-11-13-36-14-12-33)27-10-9-18-7-8-20(34-2)21(16-18)35-3;1-17-6-5-7-18(16-17)26-24-27-21-22(31(24)3)28-25(29-23(21)32-12-14-34-15-13-32)30(2)19-8-10-20(33-4)11-9-19;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);5-11,16H,12-15H2,1-4H3,(H,26,27);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyMWUQGUJCLCLYFO-UHFFFAOYSA-N
MW2700.18 g/mol
LogP21.54
Rot. Bonds41

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (PubChem CID 159694267) has the molecular formula C143H167N41O15 and a molecular weight of 2700.18 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
PubChem CID159694267
Molecular FormulaC143H167N41O15
Molecular Weight2700.18 g/mol
Exact Mass2698.36
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.COc1ccc(N(C)c2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1
InChIInChI=1S/2C26H31N7O3.C25H29N7O2.C25H28N6O4.C24H27N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(15-17)28-26-29-22-23(31-26)30-25(32-24(22)33-11-13-36-14-12-33)27-10-9-18-7-8-20(34-2)21(16-18)35-3;1-17-6-5-7-18(16-17)26-24-27-21-22(31(24)3)28-25(29-23(21)32-12-14-34-15-13-32)30(2)19-8-10-20(33-4)11-9-19;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);5-11,16H,12-15H2,1-4H3,(H,26,27);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyMWUQGUJCLCLYFO-UHFFFAOYSA-N
XLogP21.54
TPSA591.67 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002700.18
LogP ≤ 521.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Analyze 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine with MolForge

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(4,4-difluoropiperidin-1-yl)-9-(3-methylphenyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(3-phenylphenyl)purin-6-amine;N-(1,3-benzodioxol-5-ylmethyl)-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine
CID 159931006
2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;ethane
CID 142885870
7-methoxy-4-methyl-2,3-dihydro-1,3-benzoxazole;4-methoxy-7-methyl-1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine;4-methoxy-1-methylimidazo[4,5-c]pyridine;4-methoxy-7-methyl-3H-imidazo[4,5-c]pyridine;bis(4-methoxy-1-methyl-2H-[1,3]oxazolo[5,4-c]pyridine);1-methylbenzimidazol-4-amine;7-methyl-3H-benzimidazol-4-amine;7-methyl-3H-imidazo[4,5-c]pyridin-4-amine
CID 157147824
7-methoxy-3-methyl-2H-1,3-benzoxazole;7-methoxy-4-methyl-2,3-dihydro-1,3-benzoxazole;4-methoxy-7-methyl-1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine;4-methoxy-1-methylimidazo[4,5-c]pyridine;4-methoxy-7-methyl-3H-imidazo[4,5-c]pyridine;4-methoxy-1-methyl-2H-[1,3]oxazolo[5,4-c]pyridine;1-methylbenzimidazol-4-amine;7-methyl-3H-benzimidazol-4-amine;1-methylimidazo[4,5-c]pyridin-4-amine;7-methyl-3H-imidazo[4,5-c]pyridin-4-amine
CID 157764879
2-N,8-N-bis(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N,8-N-bis(2-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[2-hydroxyethyl-[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethanol
CID 157950164
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-(3-methoxyphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-purin-8-amine;8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-purin-8-amine;N-(4-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-purin-8-amine
CID 158509535
2-chloro-9-cyclohexyl-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-morpholin-4-ylphenyl)purin-6-amine;9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
CID 158793460
6-N-benzyl-2-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine;6-N-benzyl-2-N-(4-methoxyphenyl)-9-propan-2-ylpurine-2,6-diamine;N-benzyl-9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-amine;2-N,6-N-dibenzyl-2-N-[2-(dimethylamino)ethyl]-9-propan-2-ylpurine-2,6-diamine
CID 159107474
2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine
CID 159608422
7-methoxy-3-methyl-2H-1,3-benzoxazole;7-methoxy-4-methyl-2,3-dihydro-1,3-benzoxazole;4-methoxy-7-methyl-1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine;4-methoxy-1-methylimidazo[4,5-c]pyridine;4-methoxy-7-methyl-3H-imidazo[4,5-c]pyridine;4-methoxy-1-methyl-2H-[1,3]oxazolo[5,4-c]pyridine;1-methylbenzimidazol-4-amine;7-methyl-3H-benzimidazol-4-amine;7-methyl-3H-imidazo[4,5-c]pyridin-4-amine
CID 159661822
(10Z)-11,19-dimethyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,10,14,16,18,20-octaen-16-amine;methane;5-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;6-methoxy-19-methyl-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;(10E)-21-methyl-8,15-dioxa-1,17,20,23,24-pentazatetracyclo[14.5.2.13,7.019,22]tetracosa-3(24),4,6,10,16,18,20,22-octaen-18-amine;21-methyl-9,15-dioxa-1,4,17,20,23-pentazatetracyclo[14.5.2.03,8.019,22]tricosa-3(8),4,6,16,18,20,22-heptaen-18-amine;(10E)-20-methyl-8,14-dioxa-1,4,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),10,15,17,19,21-octaen-17-amine
CID 159708918
2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine
CID 159818849

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine (CID 159694267) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(CCNc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1OC.COc1ccc(COc2nc(N3CCOCC3)c3[nH]c(Nc4ccc(C)cc4)nc3n2)cc1OC.COc1ccc(N(C)c2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.COc1ccc(N(C)c2nc(N3CCOCC3)c3nc(Nc4cccc(C)c4)n(C)c3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N)nc3n2C)c1.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
The InChIKey is MWUQGUJCLCLYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N7O3.C25H29N7O2.C25H28N6O4.C24H27N7O2.C17H21N7O/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3;1-17-5-4-6-19(15-17)28-26-29-22-23(31-26)30-25(32-24(22)33-11-13-36-14-12-33)27-10-9-18-7-8-20(34-2)21(16-18)35-3;1-17-6-5-7-18(16-17)26-24-27-21-22(31(24)3)28-25(29-23(21)32-12-14-34-15-13-32)30(2)19-8-10-20(33-4)11-9-19;1-16-4-7-18(8-5-16)26-24-27-21-22(28-24)29-25(30-23(21)31-10-12-34-13-11-31)35-15-17-6-9-19(32-2)20(14-17)33-3;1-16-5-4-6-17(15-16)25-23-26-20-21(27-23)28-24(29-22(20)31-11-13-33-14-12-31)30(2)18-7-9-19(32-3)10-8-18;1-11-4-3-5-12(10-11)19-17-20-13-14(23(17)2)21-16(18)22-15(13)24-6-8-25-9-7-24/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32);4-8,15-16H,9-14H2,1-3H3,(H3,27,28,29,30,31,32);5-11,16H,12-15H2,1-4H3,(H,26,27);4-9,14H,10-13,15H2,1-3H3,(H2,26,27,28,29,30);4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28,29);3-5,10H,6-9H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine has a molecular weight of 2700.18 g/mol, XLogP of 21.54, 41 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;2-[(3,4-dimethoxyphenyl)methoxy]-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N-(4-methoxyphenyl)-2-N,9-dimethyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-N-(4-methoxyphenyl)-2-N-methyl-8-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine;9-methyl-8-N-(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine is sourced from PubChem (CID 159694267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).