N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

C144H153BrCl3N37O28S12 — CID 157236494

IUPACN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1nc(-c2ccccc2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCC3CC3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccc4c(c3)OCO4)c2-c2ccc(C)cc2)nc1
InChIInChI=1S/C29H26ClN7O4S2.C28H32N6O6S2.C26H26N6O6S2.C21H23BrN6O4S2.C21H25ClN6O4S2.C19H21ClN6O4S2/c1-42-24-18-32-29(33-19-24)41-16-15-40-28-25(21-7-9-23(30)10-8-21)27(35-26(36-28)22-11-13-31-14-12-22)37-43(38,39)34-17-20-5-3-2-4-6-20;1-4-5-15-31-42(35,36)34-26-24(40-23-14-10-9-13-22(23)37-2)27(33-25(32-26)20-11-7-6-8-12-20)38-16-17-39-28-29-18-21(41-3)19-30-28;1-17-3-6-19(7-4-17)23-24(32-40(33,34)31-12-18-5-8-21-22(11-18)38-16-37-21)29-15-30-25(23)35-9-10-36-26-27-13-20(39-2)14-28-26;1-33-17-11-23-21(24-12-17)32-9-8-31-20-18(15-4-6-16(22)7-5-15)19(25-13-26-20)28-34(29,30)27-10-14-2-3-14;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)31-10-11-32-21-23-12-17(33-2)13-24-21;1-3-25-32(27,28)26-17-16(13-4-6-14(20)7-5-13)18(24-12-23-17)29-8-9-30-19-21-10-15(31-2)11-22-19/h2-14,18-19,34H,15-17H2,1H3,(H,35,36,37);6-14,18-19,31H,4-5,15-17H2,1-3H3,(H,32,33,34);3-8,11,13-15,31H,9-10,12,16H2,1-2H3,(H,29,30,32);4-7,11-14,27H,2-3,8-10H2,1H3,(H,25,26,28);5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26)
InChIKeyAURTUHBLEMKIGI-UHFFFAOYSA-N
MW3421.11 g/mol
LogP24.21
Rot. Bonds77

About N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (PubChem CID 157236494) has the molecular formula C144H153BrCl3N37O28S12 and a molecular weight of 3421.11 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
PubChem CID157236494
Molecular FormulaC144H153BrCl3N37O28S12
Molecular Weight3421.11 g/mol
Exact Mass3415.66
IUPAC NameN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
SMILESCCCCNS(=O)(=O)Nc1nc(-c2ccccc2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCC3CC3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccc4c(c3)OCO4)c2-c2ccc(C)cc2)nc1
InChIInChI=1S/C29H26ClN7O4S2.C28H32N6O6S2.C26H26N6O6S2.C21H23BrN6O4S2.C21H25ClN6O4S2.C19H21ClN6O4S2/c1-42-24-18-32-29(33-19-24)41-16-15-40-28-25(21-7-9-23(30)10-8-21)27(35-26(36-28)22-11-13-31-14-12-22)37-43(38,39)34-17-20-5-3-2-4-6-20;1-4-5-15-31-42(35,36)34-26-24(40-23-14-10-9-13-22(23)37-2)27(33-25(32-26)20-11-7-6-8-12-20)38-16-17-39-28-29-18-21(41-3)19-30-28;1-17-3-6-19(7-4-17)23-24(32-40(33,34)31-12-18-5-8-21-22(11-18)38-16-37-21)29-15-30-25(23)35-9-10-36-26-27-13-20(39-2)14-28-26;1-33-17-11-23-21(24-12-17)32-9-8-31-20-18(15-4-6-16(22)7-5-15)19(25-13-26-20)28-34(29,30)27-10-14-2-3-14;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)31-10-11-32-21-23-12-17(33-2)13-24-21;1-3-25-32(27,28)26-17-16(13-4-6-14(20)7-5-13)18(24-12-23-17)29-8-9-30-19-21-10-15(31-2)11-22-19/h2-14,18-19,34H,15-17H2,1H3,(H,35,36,37);6-14,18-19,31H,4-5,15-17H2,1-3H3,(H,32,33,34);3-8,11,13-15,31H,9-10,12,16H2,1-2H3,(H,29,30,32);4-7,11-14,27H,2-3,8-10H2,1H3,(H,25,26,28);5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26)
InChIKeyAURTUHBLEMKIGI-UHFFFAOYSA-N
XLogP24.21
TPSA819.13 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds77
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003421.11
LogP ≤ 524.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromophenyl)-N-(cyclopropylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(pyridin-4-ylmethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(pyridin-3-ylmethylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 158292523
N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-morpholin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclohexylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(methylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
CID 158468673
4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidine;4-[[benzyl(methyl)sulfamoyl]amino]-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(butylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(cyclopentylsulfamoyl)pyrimidin-4-amine
CID 159036228
5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(methylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(methylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclohexylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
CID 159298700
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-[(4-fluorophenyl)methylsulfamoyl]pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(pyridin-4-ylmethylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-N-[(4-fluorophenyl)methylsulfamoyl]-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-N-[(4-fluorophenyl)methylsulfamoyl]-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(pyridin-4-ylmethylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(pyridin-4-ylmethylsulfamoyl)pyrimidin-4-amine
CID 159728508
N-(benzylsulfamoyl)-5-(4-bromophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-2-cyclopropyl-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 159971387
N-(benzylsulfamoyl)-5-(2-chloro-5-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;4-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyrimidin-2-ylpyrimidine;5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine;5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 161213267
5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(methylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-bromophenyl)-N-(methylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(propylsulfamoyl)pyrimidin-4-amine;5-(4-chlorophenyl)-N-(cyclohexylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine
CID 161839673

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine (CID 157236494) is N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is CCCCNS(=O)(=O)Nc1nc(-c2ccccc2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC.CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Cl)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCC3CC3)c2-c2ccc(Br)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccc4c(c3)OCO4)c2-c2ccc(C)cc2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
The InChIKey is AURTUHBLEMKIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN7O4S2.C28H32N6O6S2.C26H26N6O6S2.C21H23BrN6O4S2.C21H25ClN6O4S2.C19H21ClN6O4S2/c1-42-24-18-32-29(33-19-24)41-16-15-40-28-25(21-7-9-23(30)10-8-21)27(35-26(36-28)22-11-13-31-14-12-22)37-43(38,39)34-17-20-5-3-2-4-6-20;1-4-5-15-31-42(35,36)34-26-24(40-23-14-10-9-13-22(23)37-2)27(33-25(32-26)20-11-7-6-8-12-20)38-16-17-39-28-29-18-21(41-3)19-30-28;1-17-3-6-19(7-4-17)23-24(32-40(33,34)31-12-18-5-8-21-22(11-18)38-16-37-21)29-15-30-25(23)35-9-10-36-26-27-13-20(39-2)14-28-26;1-33-17-11-23-21(24-12-17)32-9-8-31-20-18(15-4-6-16(22)7-5-15)19(25-13-26-20)28-34(29,30)27-10-14-2-3-14;1-3-4-9-27-34(29,30)28-19-18(15-5-7-16(22)8-6-15)20(26-14-25-19)31-10-11-32-21-23-12-17(33-2)13-24-21;1-3-25-32(27,28)26-17-16(13-4-6-14(20)7-5-13)18(24-12-23-17)29-8-9-30-19-21-10-15(31-2)11-22-19/h2-14,18-19,34H,15-17H2,1H3,(H,35,36,37);6-14,18-19,31H,4-5,15-17H2,1-3H3,(H,32,33,34);3-8,11,13-15,31H,9-10,12,16H2,1-2H3,(H,29,30,32);4-7,11-14,27H,2-3,8-10H2,1H3,(H,25,26,28);5-8,12-14,27H,3-4,9-11H2,1-2H3,(H,25,26,28);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine has a molecular weight of 3421.11 g/mol, XLogP of 24.21, 77 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(benzylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyridin-4-ylpyrimidin-4-amine;5-(4-bromophenyl)-N-(cyclopropylmethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(4-chlorophenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine;N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-phenylpyrimidin-4-amine;5-(4-chlorophenyl)-N-(ethylsulfamoyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine is sourced from PubChem (CID 157236494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).