4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide

C107H104Cl5FN28O21S5 — CID 160832171

IUPAC4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CCCCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N(C)Cc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N1CCOCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21ClN6O4S.C23H26ClN5O4S.C22H18ClFN6O4S.C20H20ClN5O4S.C19H19ClN6O5S/c1-30(15-16-9-4-3-5-10-16)35(31,32)29-21-19(34-18-12-7-6-11-17(18)33-2)20(24)27-23(28-21)22-25-13-8-14-26-22;1-32-18-9-5-6-10-19(18)33-20-21(24)27-22(17-11-13-25-14-12-17)28-23(20)29-34(30,31)26-15-16-7-3-2-4-8-16;1-33-16-5-2-3-6-17(16)34-18-19(23)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(24)10-8-14;1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13;1-29-13-5-2-3-6-14(13)31-15-16(20)23-19(18-21-7-4-8-22-18)24-17(15)25-32(27,28)26-9-11-30-12-10-26/h3-14H,15H2,1-2H3,(H,27,28,29);5-6,9-14,16,26H,2-4,7-8,15H2,1H3,(H,27,28,29);2-12,27H,13H2,1H3,(H,28,29,30);2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26);2-8H,9-12H2,1H3,(H,23,24,25)
InChIKeySGYBDEGBOFIWNC-UHFFFAOYSA-N
MW2474.78 g/mol
LogP19.00
Rot. Bonds43

About 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide

4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide (PubChem CID 160832171) has the molecular formula C107H104Cl5FN28O21S5 and a molecular weight of 2474.78 g/mol. Its IUPAC name is 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide
PubChem CID160832171
Molecular FormulaC107H104Cl5FN28O21S5
Molecular Weight2474.78 g/mol
Exact Mass2470.50
IUPAC Name4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CCCCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N(C)Cc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N1CCOCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21ClN6O4S.C23H26ClN5O4S.C22H18ClFN6O4S.C20H20ClN5O4S.C19H19ClN6O5S/c1-30(15-16-9-4-3-5-10-16)35(31,32)29-21-19(34-18-12-7-6-11-17(18)33-2)20(24)27-23(28-21)22-25-13-8-14-26-22;1-32-18-9-5-6-10-19(18)33-20-21(24)27-22(17-11-13-25-14-12-17)28-23(20)29-34(30,31)26-15-16-7-3-2-4-8-16;1-33-16-5-2-3-6-17(16)34-18-19(23)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(24)10-8-14;1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13;1-29-13-5-2-3-6-14(13)31-15-16(20)23-19(18-21-7-4-8-22-18)24-17(15)25-32(27,28)26-9-11-30-12-10-26/h3-14H,15H2,1-2H3,(H,27,28,29);5-6,9-14,16,26H,2-4,7-8,15H2,1H3,(H,27,28,29);2-12,27H,13H2,1H3,(H,28,29,30);2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26);2-8H,9-12H2,1H3,(H,23,24,25)
InChIKeySGYBDEGBOFIWNC-UHFFFAOYSA-N
XLogP19.00
TPSA606.97 Ų
H-Bond Donors8
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.78
LogP ≤ 519.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1039

Analyze 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 21041348
4-[[Benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine
CID 21041253
6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 21041335
6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyrimidin-2-ylpyrimidin-4-amine
CID 21041336
6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041337
6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041349
6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041351
6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041354
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041377
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 21041380
Pyridine-2-sulfamic acid-[6-chloro-5-(o-methoxyphenoxy)-2-(4-pyridyl)-4-pyrimidinyl]-amide
CID 21979539
5-Methyl-pyridine-2-sulfamic acid-[6-chloro-5-(o-methoxyphenoxy)-2-(4-pyridyl)-4-pyrimidinyl]-amide
CID 21979545

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide?
The IUPAC name of 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide (CID 160832171) is 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide.
What is the SMILES notation for 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide?
The canonical SMILES for 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide is COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CC1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCC1CCCCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N(C)Cc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)N1CCOCC1.COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1NS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide?
The InChIKey is SGYBDEGBOFIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O4S.C23H26ClN5O4S.C22H18ClFN6O4S.C20H20ClN5O4S.C19H19ClN6O5S/c1-30(15-16-9-4-3-5-10-16)35(31,32)29-21-19(34-18-12-7-6-11-17(18)33-2)20(24)27-23(28-21)22-25-13-8-14-26-22;1-32-18-9-5-6-10-19(18)33-20-21(24)27-22(17-11-13-25-14-12-17)28-23(20)29-34(30,31)26-15-16-7-3-2-4-8-16;1-33-16-5-2-3-6-17(16)34-18-19(23)28-22(21-25-11-4-12-26-21)29-20(18)30-35(31,32)27-13-14-7-9-15(24)10-8-14;1-29-15-4-2-3-5-16(15)30-17-18(21)24-19(14-8-10-22-11-9-14)25-20(17)26-31(27,28)23-12-13-6-7-13;1-29-13-5-2-3-6-14(13)31-15-16(20)23-19(18-21-7-4-8-22-18)24-17(15)25-32(27,28)26-9-11-30-12-10-26/h3-14H,15H2,1-2H3,(H,27,28,29);5-6,9-14,16,26H,2-4,7-8,15H2,1H3,(H,27,28,29);2-12,27H,13H2,1H3,(H,28,29,30);2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,25,26);2-8H,9-12H2,1H3,(H,23,24,25).
What are the key properties of 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide?
4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide has a molecular weight of 2474.78 g/mol, XLogP of 19.00, 43 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-[(4-fluorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 160832171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).