6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C92H83ClF3N25O8S4 — CID 158202769

IUPAC6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NC2CC2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21N5O2S.C21H19N5O2S.C19H17N5O2S.C18H16N6O2S.C12H10ClF3N4/c1-14-6-10-16(11-7-14)30(28,29)27-13-18(17-4-2-3-5-20(17)27)19-12-21(24-15-8-9-15)26-22(23)25-19;22-21-24-18(12-20(25-21)23-14-10-11-14)17-13-26(19-9-5-4-8-16(17)19)29(27,28)15-6-2-1-3-7-15;1-21-18-11-16(22-19(20)23-18)15-12-24(17-10-6-5-9-14(15)17)27(25,26)13-7-3-2-4-8-13;1-20-16-10-15(22-18(19)23-16)14-11-24(17-13(14)8-5-9-21-17)27(25,26)12-6-3-2-4-7-12;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);1-9,12-14H,10-11H2,(H3,22,23,24,25);2-12H,1H3,(H3,20,21,22,23);2-11H,1H3,(H3,19,20,22,23);1-5H,6H2,(H3,17,18,19,20)
InChIKeyGBDFREMCJJHZHP-UHFFFAOYSA-N
MW1887.56 g/mol
LogP15.96
Rot. Bonds21

About 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 158202769) has the molecular formula C92H83ClF3N25O8S4 and a molecular weight of 1887.56 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
PubChem CID158202769
Molecular FormulaC92H83ClF3N25O8S4
Molecular Weight1887.56 g/mol
Exact Mass1885.54
IUPAC Name6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NC2CC2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21N5O2S.C21H19N5O2S.C19H17N5O2S.C18H16N6O2S.C12H10ClF3N4/c1-14-6-10-16(11-7-14)30(28,29)27-13-18(17-4-2-3-5-20(17)27)19-12-21(24-15-8-9-15)26-22(23)25-19;22-21-24-18(12-20(25-21)23-14-10-11-14)17-13-26(19-9-5-4-8-16(17)19)29(27,28)15-6-2-1-3-7-15;1-21-18-11-16(22-19(20)23-18)15-12-24(17-10-6-5-9-14(15)17)27(25,26)13-7-3-2-4-8-13;1-20-16-10-15(22-18(19)23-16)14-11-24(17-13(14)8-5-9-21-17)27(25,26)12-6-3-2-4-7-12;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);1-9,12-14H,10-11H2,(H3,22,23,24,25);2-12H,1H3,(H3,20,21,22,23);2-11H,1H3,(H3,19,20,22,23);1-5H,6H2,(H3,17,18,19,20)
InChIKeyGBDFREMCJJHZHP-UHFFFAOYSA-N
XLogP15.96
TPSA488.32 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.56
LogP ≤ 515.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(6-chloro-3-cyano-1-cyclopentylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 157199852
4-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;4-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 157324799
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 157506187
N-tert-butyl-4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide;4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1-methylcyclopropyl)benzenesulfonamide;4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-[3-cyano-1-cyclohexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide
CID 157850580
2-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 158011261
4-(cyclobutylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-(cyclopentylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-cyclopentyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine;4-N-methyl-6-[1-[4-(trifluoromethyl)phenyl]sulfonylindol-3-yl]pyrimidine-2,4-diamine
CID 158066726
6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-(1-methylcyclopropyl)pyridine-3-sulfonamide;2-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(6-chloro-3-cyano-1-cyclobutylpyrrolo[3,2-c]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 158089575
6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 158107130
2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-(1-methylcyclopropyl)pyrimidine-5-sulfonamide;2-(5-chloro-3-cyano-1-cyclobutylpyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;N-[4-(6-chloro-3-cyano-1-cyclohexylpyrrolo[3,2-b]pyridin-2-yl)phenyl]-2-methylpropane-2-sulfonamide;4-(6-chloro-3-cyano-1-cyclohexylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide;6-(5-chloro-3-cyano-1-cyclopentylpyrrolo[2,3-b]pyridin-2-yl)-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-methylpyrrolo[2,3-b]pyridin-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 158204569
6-(6-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[5-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoroindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;molecular hydrogen
CID 158214827
2-chloro-4-(trifluoromethyl)pyrimidine;2-(4-methylpyrimidin-2-yl)-7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;(1R)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;7-methylsulfanyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 158517192
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]ethenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-phenylcyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 158743856

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 158202769) is 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)nc(N)n1.Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CC4)nc(N)n3)c3ccccc32)cc1.Nc1nc(NC2CC2)cc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)n1.Nc1nc(NCC(F)(F)F)cc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is GBDFREMCJJHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C21H19N5O2S.C19H17N5O2S.C18H16N6O2S.C12H10ClF3N4/c1-14-6-10-16(11-7-14)30(28,29)27-13-18(17-4-2-3-5-20(17)27)19-12-21(24-15-8-9-15)26-22(23)25-19;22-21-24-18(12-20(25-21)23-14-10-11-14)17-13-26(19-9-5-4-8-16(17)19)29(27,28)15-6-2-1-3-7-15;1-21-18-11-16(22-19(20)23-18)15-12-24(17-10-6-5-9-14(15)17)27(25,26)13-7-3-2-4-8-13;1-20-16-10-15(22-18(19)23-16)14-11-24(17-13(14)8-5-9-21-17)27(25,26)12-6-3-2-4-7-12;13-8-3-1-2-7(4-8)9-5-10(20-11(17)19-9)18-6-12(14,15)16/h2-7,10-13,15H,8-9H2,1H3,(H3,23,24,25,26);1-9,12-14H,10-11H2,(H3,22,23,24,25);2-12H,1H3,(H3,20,21,22,23);2-11H,1H3,(H3,19,20,22,23);1-5H,6H2,(H3,17,18,19,20).
What are the key properties of 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1887.56 g/mol, XLogP of 15.96, 21 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)indol-3-yl]-4-N-cyclopropylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)indol-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-N-methylpyrimidine-2,4-diamine;6-(3-chlorophenyl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine;4-N-cyclopropyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158202769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).