2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C204H209ClN68O14S12 — CID 159022196

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C(N)=O)c12.CCc1[nH]c2nc(C)nc(N)c2c1C.CCc1[nH]c2nc(SCc3cccnc3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3cccnc3)nc(NC34CC5CC(C3)C(=O)C(C5)C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(=O)NCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCCCCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(OC)c(Cl)c3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(Nc3nn[nH]n3)c2c1C=O.CCc1[nH]c2nc(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nccc4[nH]cnc34)nc(N)c2c1C
InChIInChI=1S/C24H25N5O2S.C22H20ClN5O2S.C20H23N5O3S.C18H18N6O4S.C17H16N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H13N9OS.C15H15N7S.C15H17N5S.C10H14N4/c1-2-18-17(12-30)19-21(26-18)27-23(32-16-4-3-5-25-11-16)28-22(19)29-24-8-13-6-14(9-24)20(31)15(7-13)10-24;1-3-17-15(12-29)19-20(25-10-13-6-7-18(30-2)16(23)9-13)27-22(28-21(19)26-17)31-14-5-4-8-24-11-14;1-2-15-14(12-26)17-18(22-10-5-3-4-8-16(27)28)24-20(25-19(17)23-15)29-13-7-6-9-21-11-13;1-2-12-11(9-25)15-16(21-7-13(26)20-8-14(27)28)23-18(24-17(15)22-12)29-10-4-3-5-19-6-10;1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-3-9-8(2)12-13(17)21-16(22-14(12)18-9)23-15-19-10-6-4-5-7-11(10)20-15;1-3-10-11(13(17)22)12-14(19-10)20-16(21-15(12)23-4-2)24-9-6-5-7-18-8-9;1-3-9-8(2)12-13(17)20-15(21-14(12)18-9)23-16-19-10-6-4-5-7-11(10)22-16;1-2-10-9(7-25)11-12(17-10)19-15(26-8-4-3-5-16-6-8)20-13(11)18-14-21-23-24-22-14;1-3-8-7(2)10-12(16)21-15(22-13(10)20-8)23-14-11-9(4-5-17-14)18-6-19-11;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h3-5,11-15H,2,6-10H2,1H3,(H2,26,27,28,29);4-9,11-12H,3,10H2,1-2H3,(H2,25,26,27,28);6-7,9,11-12H,2-5,8,10H2,1H3,(H,27,28)(H2,22,23,24,25);3-6,9H,2,7-8H2,1H3,(H,20,26)(H,27,28)(H2,21,22,23,24);4-8H,3H2,1-2H3,(H3,18,21,22,23);4-7H,3H2,1-2H3,(H,19,20)(H3,17,18,21,22);5-8H,3-4H2,1-2H3,(H2,17,22)(H,19,20,21);4-7H,3H2,1-2H3,(H3,17,18,20,21);3-7H,2H2,1H3,(H3,17,18,19,20,21,22,23,24);4-6H,3H2,1-2H3,(H,18,19)(H3,16,20,21,22);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4H2,1-3H3,(H3,11,12,13,14)
InChIKeyJTVJMNUVKISQCG-UHFFFAOYSA-N
MW4257.63 g/mol
LogP38.49
Rot. Bonds63

About 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 159022196) has the molecular formula C204H209ClN68O14S12 and a molecular weight of 4257.63 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID159022196
Molecular FormulaC204H209ClN68O14S12
Molecular Weight4257.63 g/mol
Exact Mass4253.41
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C(N)=O)c12.CCc1[nH]c2nc(C)nc(N)c2c1C.CCc1[nH]c2nc(SCc3cccnc3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3cccnc3)nc(NC34CC5CC(C3)C(=O)C(C5)C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(=O)NCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCCCCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(OC)c(Cl)c3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(Nc3nn[nH]n3)c2c1C=O.CCc1[nH]c2nc(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nccc4[nH]cnc34)nc(N)c2c1C
InChIInChI=1S/C24H25N5O2S.C22H20ClN5O2S.C20H23N5O3S.C18H18N6O4S.C17H16N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H13N9OS.C15H15N7S.C15H17N5S.C10H14N4/c1-2-18-17(12-30)19-21(26-18)27-23(32-16-4-3-5-25-11-16)28-22(19)29-24-8-13-6-14(9-24)20(31)15(7-13)10-24;1-3-17-15(12-29)19-20(25-10-13-6-7-18(30-2)16(23)9-13)27-22(28-21(19)26-17)31-14-5-4-8-24-11-14;1-2-15-14(12-26)17-18(22-10-5-3-4-8-16(27)28)24-20(25-19(17)23-15)29-13-7-6-9-21-11-13;1-2-12-11(9-25)15-16(21-7-13(26)20-8-14(27)28)23-18(24-17(15)22-12)29-10-4-3-5-19-6-10;1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-3-9-8(2)12-13(17)21-16(22-14(12)18-9)23-15-19-10-6-4-5-7-11(10)20-15;1-3-10-11(13(17)22)12-14(19-10)20-16(21-15(12)23-4-2)24-9-6-5-7-18-8-9;1-3-9-8(2)12-13(17)20-15(21-14(12)18-9)23-16-19-10-6-4-5-7-11(10)22-16;1-2-10-9(7-25)11-12(17-10)19-15(26-8-4-3-5-16-6-8)20-13(11)18-14-21-23-24-22-14;1-3-8-7(2)10-12(16)21-15(22-13(10)20-8)23-14-11-9(4-5-17-14)18-6-19-11;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h3-5,11-15H,2,6-10H2,1H3,(H2,26,27,28,29);4-9,11-12H,3,10H2,1-2H3,(H2,25,26,27,28);6-7,9,11-12H,2-5,8,10H2,1H3,(H,27,28)(H2,22,23,24,25);3-6,9H,2,7-8H2,1H3,(H,20,26)(H,27,28)(H2,21,22,23,24);4-8H,3H2,1-2H3,(H3,18,21,22,23);4-7H,3H2,1-2H3,(H,19,20)(H3,17,18,21,22);5-8H,3-4H2,1-2H3,(H2,17,22)(H,19,20,21);4-7H,3H2,1-2H3,(H3,17,18,20,21);3-7H,2H2,1H3,(H3,17,18,19,20,21,22,23,24);4-6H,3H2,1-2H3,(H,18,19)(H3,16,20,21,22);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4H2,1-3H3,(H3,11,12,13,14)
InChIKeyJTVJMNUVKISQCG-UHFFFAOYSA-N
XLogP38.49
TPSA1236.39 Ų
H-Bond Donors30
H-Bond Acceptors75
Rotatable Bonds63
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004257.63
LogP ≤ 538.49
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1075

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde with MolForge

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What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 159022196) is 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is CCOc1nc(Sc2cccnc2)nc2[nH]c(CC)c(C(N)=O)c12.CCc1[nH]c2nc(C)nc(N)c2c1C.CCc1[nH]c2nc(SCc3cccnc3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3cccnc3)nc(NC34CC5CC(C3)C(=O)C(C5)C4)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCC(=O)NCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCCCCCC(=O)O)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(NCc3ccc(OC)c(Cl)c3)c2c1C=O.CCc1[nH]c2nc(Sc3cccnc3)nc(Nc3nn[nH]n3)c2c1C=O.CCc1[nH]c2nc(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nccc4[nH]cnc34)nc(N)c2c1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is JTVJMNUVKISQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S.C22H20ClN5O2S.C20H23N5O3S.C18H18N6O4S.C17H16N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H13N9OS.C15H15N7S.C15H17N5S.C10H14N4/c1-2-18-17(12-30)19-21(26-18)27-23(32-16-4-3-5-25-11-16)28-22(19)29-24-8-13-6-14(9-24)20(31)15(7-13)10-24;1-3-17-15(12-29)19-20(25-10-13-6-7-18(30-2)16(23)9-13)27-22(28-21(19)26-17)31-14-5-4-8-24-11-14;1-2-15-14(12-26)17-18(22-10-5-3-4-8-16(27)28)24-20(25-19(17)23-15)29-13-7-6-9-21-11-13;1-2-12-11(9-25)15-16(21-7-13(26)20-8-14(27)28)23-18(24-17(15)22-12)29-10-4-3-5-19-6-10;1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-3-9-8(2)12-13(17)21-16(22-14(12)18-9)23-15-19-10-6-4-5-7-11(10)20-15;1-3-10-11(13(17)22)12-14(19-10)20-16(21-15(12)23-4-2)24-9-6-5-7-18-8-9;1-3-9-8(2)12-13(17)20-15(21-14(12)18-9)23-16-19-10-6-4-5-7-11(10)22-16;1-2-10-9(7-25)11-12(17-10)19-15(26-8-4-3-5-16-6-8)20-13(11)18-14-21-23-24-22-14;1-3-8-7(2)10-12(16)21-15(22-13(10)20-8)23-14-11-9(4-5-17-14)18-6-19-11;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h3-5,11-15H,2,6-10H2,1H3,(H2,26,27,28,29);4-9,11-12H,3,10H2,1-2H3,(H2,25,26,27,28);6-7,9,11-12H,2-5,8,10H2,1H3,(H,27,28)(H2,22,23,24,25);3-6,9H,2,7-8H2,1H3,(H,20,26)(H,27,28)(H2,21,22,23,24);4-8H,3H2,1-2H3,(H3,18,21,22,23);4-7H,3H2,1-2H3,(H,19,20)(H3,17,18,21,22);5-8H,3-4H2,1-2H3,(H2,17,22)(H,19,20,21);4-7H,3H2,1-2H3,(H3,17,18,20,21);3-7H,2H2,1H3,(H3,17,18,19,20,21,22,23,24);4-6H,3H2,1-2H3,(H,18,19)(H3,16,20,21,22);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 4257.63 g/mol, XLogP of 38.49, 63 rotatable bonds, 30 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-(1,3-benzothiazol-2-ylsulfanyl)-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-[(3-chloro-4-methoxyphenyl)methylamino]-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;4-ethoxy-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;6-ethyl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[[2-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]acetic acid;6-[(6-ethyl-5-formyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid;6-ethyl-2-(1H-imidazo[4,5-c]pyridin-4-ylsulfanyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-5-methyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-ethyl-4-[(4-oxo-1-adamantyl)amino]-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;6-ethyl-2-pyridin-3-ylsulfanyl-4-(2H-tetrazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 159022196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).