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

C156H158Br2N38O30S12 — CID 159971387

IUPACN-(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
SMILESCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(C)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C30H29N7O6S2.C30H29N7O4S2.C28H30N6O6S2.C25H26N6O6S2.C24H23BrN6O4S2.C19H21BrN6O4S2/c1-40-24-10-6-7-11-25(24)43-26-28(37-45(38,39)34-18-21-8-4-3-5-9-21)35-27(22-12-14-31-15-13-22)36-29(26)41-16-17-42-30-32-19-23(44-2)20-33-30;1-21-8-10-23(11-9-21)26-28(37-43(38,39)34-18-22-6-4-3-5-7-22)35-27(24-12-14-31-15-13-24)36-29(26)40-16-17-41-30-32-19-25(42-2)20-33-30;1-37-22-10-6-7-11-23(22)40-24-26(34-42(35,36)31-16-19-8-4-3-5-9-19)32-25(20-12-13-20)33-27(24)38-14-15-39-28-29-17-21(41-2)18-30-28;1-34-20-10-6-7-11-21(20)37-22-23(31-39(32,33)30-14-18-8-4-3-5-9-18)28-17-29-24(22)35-12-13-36-25-26-15-19(38-2)16-27-25;1-36-20-14-26-24(27-15-20)35-12-11-34-23-21(18-7-9-19(25)10-8-18)22(28-16-29-23)31-37(32,33)30-13-17-5-3-2-4-6-17;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/h3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-11,17-18,20,31H,12-16H2,1-2H3,(H,32,33,34);3-11,15-17,30H,12-14H2,1-2H3,(H,28,29,31);2-10,14-16,30H,11-13H2,1H3,(H,28,29,31);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26)
InChIKeyOEOYYQIMQNCOEL-UHFFFAOYSA-N
MW3589.83 g/mol
LogP25.42
Rot. Bonds80

About 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

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 (PubChem CID 159971387) has the molecular formula C156H158Br2N38O30S12 and a molecular weight of 3589.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159971387
Molecular FormulaC156H158Br2N38O30S12
Molecular Weight3589.83 g/mol
Exact Mass3584.70
IUPAC NameN-(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
SMILESCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(C)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Br)cc2)nc1
InChIInChI=1S/C30H29N7O6S2.C30H29N7O4S2.C28H30N6O6S2.C25H26N6O6S2.C24H23BrN6O4S2.C19H21BrN6O4S2/c1-40-24-10-6-7-11-25(24)43-26-28(37-45(38,39)34-18-21-8-4-3-5-9-21)35-27(22-12-14-31-15-13-22)36-29(26)41-16-17-42-30-32-19-23(44-2)20-33-30;1-21-8-10-23(11-9-21)26-28(37-43(38,39)34-18-22-6-4-3-5-7-22)35-27(24-12-14-31-15-13-24)36-29(26)40-16-17-41-30-32-19-25(42-2)20-33-30;1-37-22-10-6-7-11-23(22)40-24-26(34-42(35,36)31-16-19-8-4-3-5-9-19)32-25(20-12-13-20)33-27(24)38-14-15-39-28-29-17-21(41-2)18-30-28;1-34-20-10-6-7-11-21(20)37-22-23(31-39(32,33)30-14-18-8-4-3-5-9-18)28-17-29-24(22)35-12-13-36-25-26-15-19(38-2)16-27-25;1-36-20-14-26-24(27-15-20)35-12-11-34-23-21(18-7-9-19(25)10-8-18)22(28-16-29-23)31-37(32,33)30-13-17-5-3-2-4-6-17;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/h3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-11,17-18,20,31H,12-16H2,1-2H3,(H,32,33,34);3-11,15-17,30H,12-14H2,1-2H3,(H,28,29,31);2-10,14-16,30H,11-13H2,1H3,(H,28,29,31);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26)
InChIKeyOEOYYQIMQNCOEL-UHFFFAOYSA-N
XLogP25.42
TPSA850.48 Ų
H-Bond Donors12
H-Bond Acceptors62
Rotatable Bonds80
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003589.83
LogP ≤ 525.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)ncnc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2nc(-c3ccncc3)nc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(C)cc2)nc1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NCc3ccccc3)c2-c2ccc(Br)cc2)nc1.
What is the InChIKey of 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?
The InChIKey is OEOYYQIMQNCOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O6S2.C30H29N7O4S2.C28H30N6O6S2.C25H26N6O6S2.C24H23BrN6O4S2.C19H21BrN6O4S2/c1-40-24-10-6-7-11-25(24)43-26-28(37-45(38,39)34-18-21-8-4-3-5-9-21)35-27(22-12-14-31-15-13-22)36-29(26)41-16-17-42-30-32-19-23(44-2)20-33-30;1-21-8-10-23(11-9-21)26-28(37-43(38,39)34-18-22-6-4-3-5-7-22)35-27(24-12-14-31-15-13-24)36-29(26)40-16-17-41-30-32-19-25(42-2)20-33-30;1-37-22-10-6-7-11-23(22)40-24-26(34-42(35,36)31-16-19-8-4-3-5-9-19)32-25(20-12-13-20)33-27(24)38-14-15-39-28-29-17-21(41-2)18-30-28;1-34-20-10-6-7-11-21(20)37-22-23(31-39(32,33)30-14-18-8-4-3-5-9-18)28-17-29-24(22)35-12-13-36-25-26-15-19(38-2)16-27-25;1-36-20-14-26-24(27-15-20)35-12-11-34-23-21(18-7-9-19(25)10-8-18)22(28-16-29-23)31-37(32,33)30-13-17-5-3-2-4-6-17;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/h3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-15,19-20,34H,16-18H2,1-2H3,(H,35,36,37);3-11,17-18,20,31H,12-16H2,1-2H3,(H,32,33,34);3-11,15-17,30H,12-14H2,1-2H3,(H,28,29,31);2-10,14-16,30H,11-13H2,1H3,(H,28,29,31);4-7,10-12,25H,3,8-9H2,1-2H3,(H,23,24,26).
What are the key properties of 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?
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 has a molecular weight of 3589.83 g/mol, XLogP of 25.42, 80 rotatable bonds, 12 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).