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

C128H131BrClN37O28S10 — CID 161213267

About 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

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 (PubChem CID 161213267) has the molecular formula C128H131BrClN37O28S10 and a molecular weight of 3071.71 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161213267
• Molecular Formula: C128H131BrClN37O28S10
• Molecular Weight: 3071.71 g/mol
• Exact Mass: 3067.60
• IUPAC Name: 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
• SMILES: CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(SC)cn2)c1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccn2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccn2)nc(-c2ncccn2)nc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CC3)c2-c2ccc(Br)cc2)nc1
• InChI: InChI=1S/C29H28N8O6S2.C28H27N9O6S2.C26H30N8O6S2.C25H25ClN6O6S2.C20H21BrN6O4S2/c1-40-23-8-3-4-9-24(23)43-25-27(37-45(38,39)34-17-21-7-5-6-12-31-21)35-26(20-10-13-30-14-11-20)36-28(25)41-15-16-42-29-32-18-22(44-2)19-33-29;1-40-21-9-3-4-10-22(21)43-23-24(37-45(38,39)34-16-19-8-5-6-11-29-19)35-26(25-30-12-7-13-31-25)36-27(23)41-14-15-42-28-32-17-20(44-2)18-33-28;1-5-34(6-2)42(35,36)33-22-21(40-20-11-8-7-10-19(20)37-3)25(32-24(31-22)23-27-12-9-13-28-23)38-14-15-39-26-29-16-18(41-4)17-30-26;1-35-18-8-9-20(26)21(12-18)38-22-23(32-40(33,34)31-13-17-6-4-3-5-7-17)29-16-30-24(22)36-10-11-37-25-27-14-19(39-2)15-28-25;1-32-16-10-22-20(23-11-16)31-9-8-30-19-17(13-2-4-14(21)5-3-13)18(24-12-25-19)27-33(28,29)26-15-6-7-15/h3-14,18-19,34H,15-17H2,1-2H3,(H,35,36,37);3-13,17-18,34H,14-16H2,1-2H3,(H,35,36,37);7-13,16-17H,5-6,14-15H2,1-4H3,(H,31,32,33);3-9,12,14-16,31H,10-11,13H2,1-2H3,(H,29,30,32);2-5,10-12,15,26H,6-9H2,1H3,(H,24,25,27)
• InChIKey: UWNFIXBNQTZHGX-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 796.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 60
• Rotatable Bonds: 70
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3071.71
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN(CC)S(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC.COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(SC)cn2)c1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccn2)nc(-c2ccncc2)nc1OCCOc1ncc(SC)cn1.COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccn2)nc(-c2ncccn2)nc1OCCOc1ncc(SC)cn1.CSc1cnc(OCCOc2ncnc(NS(=O)(=O)NC3CC3)c2-c2ccc(Br)cc2)nc1.

What is the InChIKey of 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?

The InChIKey is UWNFIXBNQTZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O6S2.C28H27N9O6S2.C26H30N8O6S2.C25H25ClN6O6S2.C20H21BrN6O4S2/c1-40-23-8-3-4-9-24(23)43-25-27(37-45(38,39)34-17-21-7-5-6-12-31-21)35-26(20-10-13-30-14-11-20)36-28(25)41-15-16-42-29-32-18-22(44-2)19-33-29;1-40-21-9-3-4-10-22(21)43-23-24(37-45(38,39)34-16-19-8-5-6-11-29-19)35-26(25-30-12-7-13-31-25)36-27(23)41-14-15-42-28-32-17-20(44-2)18-33-28;1-5-34(6-2)42(35,36)33-22-21(40-20-11-8-7-10-19(20)37-3)25(32-24(31-22)23-27-12-9-13-28-23)38-14-15-39-26-29-16-18(41-4)17-30-26;1-35-18-8-9-20(26)21(12-18)38-22-23(32-40(33,34)31-13-17-6-4-3-5-7-17)29-16-30-24(22)36-10-11-37-25-27-14-19(39-2)15-28-25;1-32-16-10-22-20(23-11-16)31-9-8-30-19-17(13-2-4-14(21)5-3-13)18(24-12-25-19)27-33(28,29)26-15-6-7-15/h3-14,18-19,34H,15-17H2,1-2H3,(H,35,36,37);3-13,17-18,34H,14-16H2,1-2H3,(H,35,36,37);7-13,16-17H,5-6,14-15H2,1-4H3,(H,31,32,33);3-9,12,14-16,31H,10-11,13H2,1-2H3,(H,29,30,32);2-5,10-12,15,26H,6-9H2,1H3,(H,24,25,27).

What are the key properties of 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?

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 has a molecular weight of 3071.71 g/mol, XLogP of 19.03, 70 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161213267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).