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

C107H96Cl5N31O21S5 — CID 157089122

IUPACN-(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
SMILESCOc1ccc(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
InChIInChI=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)
InChIKeyAELIQQBHMBNKNO-UHFFFAOYSA-N
MW2489.74 g/mol
LogP17.79
Rot. Bonds46

About 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

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.

Molecular Properties

Compound NameN-(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 CID157089122
Molecular FormulaC107H96Cl5N31O21S5
Molecular Weight2489.74 g/mol
Exact Mass2485.44
IUPAC NameN-(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
SMILESCOc1ccc(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
InChIInChI=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)
InChIKeyAELIQQBHMBNKNO-UHFFFAOYSA-N
XLogP17.79
TPSA663.22 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002489.74
LogP ≤ 517.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 157089122) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is AELIQQBHMBNKNO-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 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?
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 has a molecular weight of 2489.74 g/mol, XLogP of 17.79, 46 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157089122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).