N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

C214H218N32O25S6 — CID 159528561

IUPACN-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
SMILESCC1=Cc2cc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S
InChIInChI=1S/C28H31N5O3.C27H30N4O4S.C24H24N4O2.C23H23N3O4S.C23H21N3O2.C23H23N3O.C22H22N4O3S.2C22H21N3O3S.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-20-16-21-6-7-25(18-22(21)17-20)35-26-8-9-28-27(30-26)29-23-4-2-5-24(19-23)34-13-3-10-31-11-14-36(32,33)15-12-31;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-21(27)17-5-4-6-19(13-17)25-23-24-10-9-22(26-23)28-20-8-7-16-11-15(2)12-18(16)14-20;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-15-11-17-5-8-20(13-18(17)12-15)28-21-9-10-23-22(25-21)24-19-6-3-16(4-7-19)14-29(2,26)27;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-9,17-19H,3,10-16H2,1H3,(H,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;4-10,12-14H,3,11H2,1-2H3,(H,24,25,26);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12-13H,11,14H2,1-2H3,(H,23,24,25);4-12,14,24H,3,13H2,1-2H3;1H2/t;;22-;;;;;;;/m..0......./s1
InChIKeyMCRRTVGGAPLCLJ-BAJYSVNYSA-N
MW3830.70 g/mol
LogP41.80
Rot. Bonds63

About N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane

N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (PubChem CID 159528561) has the molecular formula C214H218N32O25S6 and a molecular weight of 3830.70 g/mol. Its IUPAC name is N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.

Molecular Properties

Compound NameN-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
PubChem CID159528561
Molecular FormulaC214H218N32O25S6
Molecular Weight3830.70 g/mol
Exact Mass3827.51
IUPAC NameN-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
SMILESCC1=Cc2cc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S
InChIInChI=1S/C28H31N5O3.C27H30N4O4S.C24H24N4O2.C23H23N3O4S.C23H21N3O2.C23H23N3O.C22H22N4O3S.2C22H21N3O3S.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-20-16-21-6-7-25(18-22(21)17-20)35-26-8-9-28-27(30-26)29-23-4-2-5-24(19-23)34-13-3-10-31-11-14-36(32,33)15-12-31;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-21(27)17-5-4-6-19(13-17)25-23-24-10-9-22(26-23)28-20-8-7-16-11-15(2)12-18(16)14-20;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-15-11-17-5-8-20(13-18(17)12-15)28-21-9-10-23-22(25-21)24-19-6-3-16(4-7-19)14-29(2,26)27;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-9,17-19H,3,10-16H2,1H3,(H,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;4-10,12-14H,3,11H2,1-2H3,(H,24,25,26);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12-13H,11,14H2,1-2H3,(H,23,24,25);4-12,14,24H,3,13H2,1-2H3;1H2/t;;22-;;;;;;;/m..0......./s1
InChIKeyMCRRTVGGAPLCLJ-BAJYSVNYSA-N
XLogP41.80
TPSA715.21 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds63
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003830.70
LogP ≤ 541.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane with MolForge

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Related Compounds

CID 157490184
CID 157490184
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157147659
N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157252279
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
4-[[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylpropan-1-amine;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1,1-dioxide;4-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-1,4-thiazinane 1-oxide;sulfur dioxide
CID 157402943
CID 157497995
CID 157497995
CID 157813314
CID 157813314
2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N-(2-methoxyethyl)-3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzamide;5-[[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]methyl]-2-methyl-1H-indole;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 157983360
CID 158162317
CID 158162317
2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 158190092
N-[4-[1-(dimethylamino)ethenyl]-2-methylphenyl]-4-(oxan-4-yloxy)-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3S)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158544169

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The IUPAC name of N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane (CID 159528561) is N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane.
What is the SMILES notation for N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The canonical SMILES for N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is CC1=Cc2cc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(OCCCN5CCS(=O)(=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Oc3ccnc(Nc4cccc(O[C@H]5CCNC5)c4)n3)ccc2C1.CCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.CCCc1ccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)cc1.CCS(=O)(=O)c1cccc(Cc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1.CNS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Oc3ccnc(Cc4cccc(OCCS(C)(=O)=O)c4)n3)ccc2[nH]1.S.
What is the InChIKey of N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
The InChIKey is MCRRTVGGAPLCLJ-BAJYSVNYSA-N. The full InChI is InChI=1S/C28H31N5O3.C27H30N4O4S.C24H24N4O2.C23H23N3O4S.C23H21N3O2.C23H23N3O.C22H22N4O3S.2C22H21N3O3S.H2S/c1-20-15-22-5-6-25(19-23(22)16-20)36-27-7-8-30-28(32-27)31-24-4-2-3-21(17-24)18-26(34)29-9-10-33-11-13-35-14-12-33;1-20-16-21-6-7-25(18-22(21)17-20)35-26-8-9-28-27(30-26)29-23-4-2-5-24(19-23)34-13-3-10-31-11-14-36(32,33)15-12-31;1-16-11-17-5-6-21(13-18(17)12-16)30-23-8-10-26-24(28-23)27-19-3-2-4-20(14-19)29-22-7-9-25-15-22;1-16-12-18-15-20(6-7-21(18)25-16)30-23-8-9-24-22(26-23)14-17-4-3-5-19(13-17)29-10-11-31(2,27)28;1-3-21(27)17-5-4-6-19(13-17)25-23-24-10-9-22(26-23)28-20-8-7-16-11-15(2)12-18(16)14-20;1-3-4-17-5-8-20(9-6-17)25-23-24-12-11-22(26-23)27-21-10-7-18-13-16(2)14-19(18)15-21;1-15-10-17-6-7-20(13-18(17)11-15)29-21-8-9-24-22(26-21)25-19-5-3-4-16(12-19)14-30(27,28)23-2;1-15-11-17-5-8-20(13-18(17)12-15)28-21-9-10-23-22(25-21)24-19-6-3-16(4-7-19)14-29(2,26)27;1-3-29(26,27)19-6-4-5-16(12-19)13-21-23-10-9-22(25-21)28-18-7-8-20-17(14-18)11-15(2)24-20;/h2-8,16-17,19H,9-15,18H2,1H3,(H,29,34)(H,30,31,32);2,4-9,17-19H,3,10-16H2,1H3,(H,28,29,30);2-6,8,10,12-14,22,25H,7,9,11,15H2,1H3,(H,26,27,28);3-9,12-13,15,25H,10-11,14H2,1-2H3;4-10,12-14H,3,11H2,1-2H3,(H,24,25,26);5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26);3-9,11-13,23H,10,14H2,1-2H3,(H,24,25,26);3-10,12-13H,11,14H2,1-2H3,(H,23,24,25);4-12,14,24H,3,13H2,1-2H3;1H2/t;;22-;;;;;;;/m..0......./s1.
What are the key properties of N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane?
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane has a molecular weight of 3830.70 g/mol, XLogP of 41.80, 63 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane is sourced from PubChem (CID 159528561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).