[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane

C82H112N30O10S5 — CID 159964601

IUPAC[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ccnc2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ncc3ccccc32)n1.Cc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1ncn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1C
InChIInChI=1S/C19H24N6O2S.C18H22N6O2S.C16H24N6O2S.C15H22N6O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-13-12-26-9-8-23(13)17-10-16(22-27(2,3)25)20-18(21-17)24-15-7-5-4-6-14(15)11-19-24;1-11-9-24-7-6-21(11)15-8-14(20-25(4,5)23)18-16(19-15)22-10-17-12(2)13(22)3;1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2;1-11-9-22-7-6-20(11)13-8-12(18-23(2,3)21)16-14(17-13)19-5-4-15-10-19/h5-8,11,13H,9-10,12H2,1-4H3;4-7,10-11,13H,8-9,12H2,1-3H3;8,10-11H,6-7,9H2,1-5H3;7-8,10,12H,5-6,9H2,1-4H3;4-5,8,10-11H,6-7,9H2,1-3H3/t2*13-;11-;12-;11-/m11111/s1
InChIKeyODTPVTICFJJSCQ-RVDDDKBXSA-N
MW1838.33 g/mol
LogP9.77
Rot. Bonds15

About [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane

[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 159964601) has the molecular formula C82H112N30O10S5 and a molecular weight of 1838.33 g/mol. Its IUPAC name is [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID159964601
Molecular FormulaC82H112N30O10S5
Molecular Weight1838.33 g/mol
Exact Mass1836.78
IUPAC Name[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ccnc2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ncc3ccccc32)n1.Cc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1ncn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1C
InChIInChI=1S/C19H24N6O2S.C18H22N6O2S.C16H24N6O2S.C15H22N6O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-13-12-26-9-8-23(13)17-10-16(22-27(2,3)25)20-18(21-17)24-15-7-5-4-6-14(15)11-19-24;1-11-9-24-7-6-21(11)15-8-14(20-25(4,5)23)18-16(19-15)22-10-17-12(2)13(22)3;1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2;1-11-9-22-7-6-20(11)13-8-12(18-23(2,3)21)16-14(17-13)19-5-4-15-10-19/h5-8,11,13H,9-10,12H2,1-4H3;4-7,10-11,13H,8-9,12H2,1-3H3;8,10-11H,6-7,9H2,1-5H3;7-8,10,12H,5-6,9H2,1-4H3;4-5,8,10-11H,6-7,9H2,1-3H3/t2*13-;11-;12-;11-/m11111/s1
InChIKeyODTPVTICFJJSCQ-RVDDDKBXSA-N
XLogP9.77
TPSA427.50 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001838.33
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane with MolForge

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Related Compounds

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-difluoro-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3,6-dimethylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[3-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 158551886
dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane;(2R,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 158621615
dimethyl-[5-methyl-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]imino-oxo-lambda6-sulfane;(2S,6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2R,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;(6R)-2-(1,3-dimethylpyrazol-4-yl)-6-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine
CID 158621616
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 158622226
bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide
CID 158728794
5-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(4-ethylpiperazin-1-yl)methyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[7-methyl-4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158745435
N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoropiperidin-3-yl]methyl]methanesulfonamide;[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methylimino-dimethyl-oxo-lambda6-sulfane;N-[2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]methanesulfonamide;6-(difluoromethyl)-3-[5-(2-methylsulfonyl-2,8-diazaspiro[3.5]nonan-8-yl)-3-pyridinyl]imidazo[1,2-b]pyridazine
CID 158894789
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;tris(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide);N-[[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 159045139
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide;(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 159399645
N-[[(3S,5S)-1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-5-fluoro-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-5-fluoro-4-pyridinyl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-ethyl-3-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-ethylmorpholin-2-yl]methyl]methanesulfonamide
CID 160042449
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methoxypiperidin-3-yl]methyl]methanesulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]-N-(methylsulfamoyl)methanamine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-(methylsulfamoyl)methanamine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-1,1,1-trifluoromethanesulfonamide;6-(difluoromethyl)-3-[6-[2-methyl-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-[2-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 161604436
N-[[(3S,5S)-1-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;(3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-[6-(6-methylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 161781552

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane (CID 159964601) is [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ccnc2)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2ncc3ccccc32)n1.Cc1cn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)cn1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1ncn(-c2nc(N=S(C)(C)=O)cc(N3CCOC[C@H]3C)n2)c1C.
What is the InChIKey of [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is ODTPVTICFJJSCQ-RVDDDKBXSA-N. The full InChI is InChI=1S/C19H24N6O2S.C18H22N6O2S.C16H24N6O2S.C15H22N6O2S.C14H20N6O2S/c1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-13-12-26-9-8-23(13)17-10-16(22-27(2,3)25)20-18(21-17)24-15-7-5-4-6-14(15)11-19-24;1-11-9-24-7-6-21(11)15-8-14(20-25(4,5)23)18-16(19-15)22-10-17-12(2)13(22)3;1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2;1-11-9-22-7-6-20(11)13-8-12(18-23(2,3)21)16-14(17-13)19-5-4-15-10-19/h5-8,11,13H,9-10,12H2,1-4H3;4-7,10-11,13H,8-9,12H2,1-3H3;8,10-11H,6-7,9H2,1-5H3;7-8,10,12H,5-6,9H2,1-4H3;4-5,8,10-11H,6-7,9H2,1-3H3/t2*13-;11-;12-;11-/m11111/s1.
What are the key properties of [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
[2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 1838.33 g/mol, XLogP of 9.77, 15 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dimethylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(4-methylimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-imidazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-indazol-1-yl-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 159964601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).