C107H96Cl5N31O21S5 — CID 157089122
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 157089122) has the molecular formula C107H96Cl5N31O21S5 and a molecular weight of 2489.74 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine.
| Compound Name | N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine |
|---|---|
| PubChem CID | 157089122 |
| Molecular Formula | C107H96Cl5N31O21S5 |
| Molecular Weight | 2489.74 g/mol |
| Exact Mass | 2485.44 |
| IUPAC Name | N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine |
| SMILES | COc1ccc(CNS(=O)(=O)Nc2nc(-c3ncccn3)nc(Cl)c2Oc2ccccc2OC)cc1.COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCC1CC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccccn1 |
| InChI | InChI=1S/C23H21ClN6O5S.2C22H19ClN6O4S.C21H18ClN7O4S.C19H19ClN6O4S/c1-33-16-10-8-15(9-11-16)14-27-36(31,32)30-21-19(35-18-7-4-3-6-17(18)34-2)20(24)28-23(29-21)22-25-12-5-13-26-22;1-32-16-10-5-6-11-17(16)33-18-19(23)27-22(21-24-12-7-13-25-21)28-20(18)29-34(30,31)26-14-15-8-3-2-4-9-15;1-32-17-9-5-6-10-18(17)33-19-20(23)27-21(16-14-24-11-12-25-16)28-22(19)29-34(30,31)26-13-15-7-3-2-4-8-15;1-32-15-8-2-3-9-16(15)33-17-18(22)27-21(20-24-11-6-12-25-20)28-19(17)29-34(30,31)26-13-14-7-4-5-10-23-14;1-29-13-5-2-3-6-14(13)30-15-16(20)24-19(18-21-9-4-10-22-18)25-17(15)26-31(27,28)23-11-12-7-8-12/h3-13,27H,14H2,1-2H3,(H,28,29,30);2-13,26H,14H2,1H3,(H,27,28,29);2-12,14,26H,13H2,1H3,(H,27,28,29);2-12,26H,13H2,1H3,(H,27,28,29);2-6,9-10,12,23H,7-8,11H2,1H3,(H,24,25,26) |
| InChIKey | AELIQQBHMBNKNO-UHFFFAOYSA-N |
| XLogP | 17.79 |
| TPSA | 663.22 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2489.74 |
| LogP ≤ 5 | 17.79 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |