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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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

C120H123N45O2S8 — CID 157049983

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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
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(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3ncnc4nc[nH]c34)nc(N)c2c1C.Cc1[nH]c2nc(Sc3cnc4ccccc4n3)nc(N)c2c1C
InChIInChI=1S/C17H16N6S.C16H14N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H17N5S.C14H14N8S.C10H14N4/c1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-8-9(2)19-15-13(8)14(17)21-16(22-15)23-12-7-18-10-5-3-4-6-11(10)20-12;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;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-3-7-6(2)8-10(15)21-14(22-11(8)20-7)23-13-9-12(17-4-16-9)18-5-19-13;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h4-8H,3H2,1-2H3,(H3,18,21,22,23);3-7H,1-2H3,(H3,17,19,21,22);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);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4-5H,3H2,1-2H3,(H3,15,20,21,22)(H,16,17,18,19);4H2,1-3H3,(H3,11,12,13,14)
InChIKeyAABUCJLQGOIHIA-UHFFFAOYSA-N
MW2484.15 g/mol
LogP23.98
Rot. Bonds25

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 (PubChem CID 157049983) has the molecular formula C120H123N45O2S8 and a molecular weight of 2484.15 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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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.

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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
PubChem CID157049983
Molecular FormulaC120H123N45O2S8
Molecular Weight2484.15 g/mol
Exact Mass2481.87
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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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
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(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3ncnc4nc[nH]c34)nc(N)c2c1C.Cc1[nH]c2nc(Sc3cnc4ccccc4n3)nc(N)c2c1C
InChIInChI=1S/C17H16N6S.C16H14N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H17N5S.C14H14N8S.C10H14N4/c1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-8-9(2)19-15-13(8)14(17)21-16(22-15)23-12-7-18-10-5-3-4-6-11(10)20-12;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;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-3-7-6(2)8-10(15)21-14(22-11(8)20-7)23-13-9-12(17-4-16-9)18-5-19-13;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h4-8H,3H2,1-2H3,(H3,18,21,22,23);3-7H,1-2H3,(H3,17,19,21,22);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);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4-5H,3H2,1-2H3,(H3,15,20,21,22)(H,16,17,18,19);4H2,1-3H3,(H3,11,12,13,14)
InChIKeyAABUCJLQGOIHIA-UHFFFAOYSA-N
XLogP23.98
TPSA740.39 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002484.15
LogP ≤ 523.98
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671
4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde
CID 157318987
5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[2,3-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-d]pyrimidine;7H-purine;5H-pyrrolo[2,3-d]pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 158034302
bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);methane;bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)
CID 158095865
bis(5H-cyclopenta[d]pyrimidine);icosakis(2,2-dimethylpropane);furo[2,3-d]pyrimidine;bis(furo[3,2-d]pyrimidine);bis([1,3]oxazolo[4,5-d]pyrimidine);bis([1,3]oxazolo[5,4-d]pyrimidine);bis(5H-pyrrolo[2,3-d]pyrimidine);bis(7H-pyrrolo[2,3-d]pyrimidine);bis([1,3]thiazolo[4,5-d]pyrimidine);bis([1,3]thiazolo[5,4-d]pyrimidine);thieno[2,3-d]pyrimidine;bis(thieno[3,2-d]pyrimidine)
CID 159352796
1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 159870155
N-[[4-(aminomethyl)furan-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;N-[[4-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 159975153
1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160275357
benzene;furo[2,3-b]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-c]pyridine
CID 160777594
6H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;methane;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;5H-pyrrolo[2,3-b]pyrazine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 161564079
2-[(2R,6S)-6-imidazo[1,5-a]pyridin-1-yl-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-6-imidazo[1,5-a]pyridin-3-yl-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]furo[3,2-c]pyridine;4-[(2S,6R)-1-methyl-6-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-2-yl]-[1,3]thiazolo[4,5-c]pyridine;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyrrolo[1,2-a]pyrazin-1-ylpiperidin-2-yl]-1H-benzimidazole
CID 161822153
tris(6H-cyclopenta[b]pyrazine);5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyrazine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;tris(2H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;tris(2H-pyrrolo[2,3-c]pyridine);tris(2H-pyrrolo[3,2-c]pyridine);3H-pyrrolo[2,3-c]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 162190549

Frequently Asked Questions

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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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?
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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 (CID 157049983) 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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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.
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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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?
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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 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(Sc3cnc4ccccc4n3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4[nH]3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3nc4ccccc4s3)nc(N)c2c1C.CCc1[nH]c2nc(Sc3ncnc4nc[nH]c34)nc(N)c2c1C.Cc1[nH]c2nc(Sc3cnc4ccccc4n3)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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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?
The InChIKey is AABUCJLQGOIHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S.C16H14N6S.C16H16N6S.C16H17N5O2S.C16H15N5S2.C15H17N5S.C14H14N8S.C10H14N4/c1-3-10-9(2)14-15(18)22-17(23-16(14)21-10)24-13-8-19-11-6-4-5-7-12(11)20-13;1-8-9(2)19-15-13(8)14(17)21-16(22-15)23-12-7-18-10-5-3-4-6-11(10)20-12;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;1-3-11-9(2)12-13(16)19-15(20-14(12)18-11)21-8-10-5-4-6-17-7-10;1-3-7-6(2)8-10(15)21-14(22-11(8)20-7)23-13-9-12(17-4-16-9)18-5-19-13;1-4-7-5(2)8-9(11)12-6(3)13-10(8)14-7/h4-8H,3H2,1-2H3,(H3,18,21,22,23);3-7H,1-2H3,(H3,17,19,21,22);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);4-7H,3,8H2,1-2H3,(H3,16,18,19,20);4-5H,3H2,1-2H3,(H3,15,20,21,22)(H,16,17,18,19);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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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?
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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 has a molecular weight of 2484.15 g/mol, XLogP of 23.98, 25 rotatable bonds, 18 hydrogen bond donors, and 44 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;5,6-dimethyl-2-quinoxalin-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;6-ethyl-5-methyl-2-(7H-purin-6-ylsulfanyl)-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 is sourced from PubChem (CID 157049983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).