N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine

C113H105Cl5N24O23S5 — CID 159928787

IUPACN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCc1ccc2c(c1)OCO2.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C24H20ClN5O6S.C24H22ClN5O5S.C24H22ClN5O4S.C21H21ClN4O4S.C20H20ClN5O4S/c1-33-17-4-2-3-5-19(17)36-21-22(25)28-23(16-8-10-26-11-9-16)29-24(21)30-37(31,32)27-13-15-6-7-18-20(12-15)35-14-34-18;1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17;1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17;1-29-16-9-5-6-10-17(16)30-18-19(22)24-20(15-11-12-15)25-21(18)26-31(27,28)23-13-14-7-3-2-4-8-14;1-29-15-7-2-3-8-16(15)30-17-18(21)24-19(13-9-10-13)25-20(17)26-31(27,28)23-12-14-6-4-5-11-22-14/h2-12,27H,13-14H2,1H3,(H,28,29,30);3-14,27H,15H2,1-2H3,(H,28,29,30);2-10,12-15,27H,11,16H2,1H3,(H,28,29,30);2-10,15,23H,11-13H2,1H3,(H,24,25,26);2-8,11,13,23H,9-10,12H2,1H3,(H,24,25,26)
InChIKeyNZJDZPSZEBAUAX-UHFFFAOYSA-N
MW2504.83 g/mol
LogP21.00
Rot. Bonds47

About N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine

N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 159928787) has the molecular formula C113H105Cl5N24O23S5 and a molecular weight of 2504.83 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID159928787
Molecular FormulaC113H105Cl5N24O23S5
Molecular Weight2504.83 g/mol
Exact Mass2500.48
IUPAC NameN-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCc1ccc2c(c1)OCO2.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccn1
InChIInChI=1S/C24H20ClN5O6S.C24H22ClN5O5S.C24H22ClN5O4S.C21H21ClN4O4S.C20H20ClN5O4S/c1-33-17-4-2-3-5-19(17)36-21-22(25)28-23(16-8-10-26-11-9-16)29-24(21)30-37(31,32)27-13-15-6-7-18-20(12-15)35-14-34-18;1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17;1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17;1-29-16-9-5-6-10-17(16)30-18-19(22)24-20(15-11-12-15)25-21(18)26-31(27,28)23-13-14-7-3-2-4-8-14;1-29-15-7-2-3-8-16(15)30-17-18(21)24-19(13-9-10-13)25-20(17)26-31(27,28)23-12-14-6-4-5-11-22-14/h2-12,27H,13-14H2,1H3,(H,28,29,30);3-14,27H,15H2,1-2H3,(H,28,29,30);2-10,12-15,27H,11,16H2,1H3,(H,28,29,30);2-10,15,23H,11-13H2,1H3,(H,24,25,26);2-8,11,13,23H,9-10,12H2,1H3,(H,24,25,26)
InChIKeyNZJDZPSZEBAUAX-UHFFFAOYSA-N
XLogP21.00
TPSA591.45 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.83
LogP ≤ 521.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041363
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
(3S)-3-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[2-amino-5-[(6-methyl-2-pyridinyl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[5-[3-(1,3-benzodioxol-5-yl)propoxy]-2-methylpyrimidin-4-yl]amino]hexan-1-ol;sulfane
CID 157442017
(3S)-3-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-[3-(1,3-benzodioxol-5-yl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-(pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]hexan-1-ol;(2S)-2-[[2-amino-5-(pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 157551041
N-(benzylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine;N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-[(4-chlorophenyl)methylsulfamoyl]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 158263083
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-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-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 158600657
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-(furan-2-ylmethylsulfamoyl)-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)-2-pyrazin-2-yl-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine
CID 158984699
4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(4-chlorophenyl)pyrimidine;6-chloro-5-(2-chloro-5-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 159981270
N-(butylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclohexylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine;4-chloro-6-(diethylsulfamoylamino)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidine;6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 160086121
N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-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-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
CID 160396876
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
6-chloro-N-(ethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidine;N-(ethylsulfamoyl)-6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 161277806

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 159928787) is N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine is COc1ccc(CNS(=O)(=O)Nc2nc(-c3ccncc3)nc(Cl)c2Oc2ccccc2OC)cc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1NS(=O)(=O)NCc1ccc2c(c1)OCO2.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccc1.COc1ccccc1Oc1c(Cl)nc(C2CC2)nc1NS(=O)(=O)NCc1ccccn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is NZJDZPSZEBAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O6S.C24H22ClN5O5S.C24H22ClN5O4S.C21H21ClN4O4S.C20H20ClN5O4S/c1-33-17-4-2-3-5-19(17)36-21-22(25)28-23(16-8-10-26-11-9-16)29-24(21)30-37(31,32)27-13-15-6-7-18-20(12-15)35-14-34-18;1-33-18-9-7-16(8-10-18)15-27-36(31,32)30-24-21(35-20-6-4-3-5-19(20)34-2)22(25)28-23(29-24)17-11-13-26-14-12-17;1-33-19-9-5-6-10-20(19)34-21-22(25)28-23(18-12-14-26-15-13-18)29-24(21)30-35(31,32)27-16-11-17-7-3-2-4-8-17;1-29-16-9-5-6-10-17(16)30-18-19(22)24-20(15-11-12-15)25-21(18)26-31(27,28)23-13-14-7-3-2-4-8-14;1-29-15-7-2-3-8-16(15)30-17-18(21)24-19(13-9-10-13)25-20(17)26-31(27,28)23-12-14-6-4-5-11-22-14/h2-12,27H,13-14H2,1H3,(H,28,29,30);3-14,27H,15H2,1-2H3,(H,28,29,30);2-10,12-15,27H,11,16H2,1H3,(H,28,29,30);2-10,15,23H,11-13H2,1H3,(H,24,25,26);2-8,11,13,23H,9-10,12H2,1H3,(H,24,25,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine?
N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 2504.83 g/mol, XLogP of 21.00, 47 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethylsulfamoyl)-6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;N-(benzylsulfamoyl)-6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-amine;6-chloro-2-cyclopropyl-5-(2-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methylsulfamoyl]-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-5-(2-methoxyphenoxy)-N-(2-phenylethylsulfamoyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 159928787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).