3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine

C118H171N29O11S5 — CID 159041401

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESCCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(C)(=O)=O.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/2C21H31N5O2S.C20H29N5O2S.C20H27N5O.C19H29N5O2S.C17H24N4O2S/c1-15-14-22-20(25-21(3,4)5)24-19(15)23-17-10-8-11-18(13-17)29(27,28)26-12-7-6-9-16(26)2;1-15-14-22-20(25-21(2,3)4)24-19(15)23-17-11-8-12-18(13-17)29(27,28)26-16-9-6-5-7-10-16;1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-11-7-8-13(9-14(11)24(6,22)23)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8,11-14,16,26H,5-7,9-10H2,1-4H3,(H2,22,23,24,25);7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyJWCIFFYFXQNQIU-UHFFFAOYSA-N
MW2332.19 g/mol
LogP23.81
Rot. Bonds32

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (PubChem CID 159041401) has the molecular formula C118H171N29O11S5 and a molecular weight of 2332.19 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
PubChem CID159041401
Molecular FormulaC118H171N29O11S5
Molecular Weight2332.19 g/mol
Exact Mass2330.23
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESCCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(C)(=O)=O.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/2C21H31N5O2S.C20H29N5O2S.C20H27N5O.C19H29N5O2S.C17H24N4O2S/c1-15-14-22-20(25-21(3,4)5)24-19(15)23-17-10-8-11-18(13-17)29(27,28)26-12-7-6-9-16(26)2;1-15-14-22-20(25-21(2,3)4)24-19(15)23-17-11-8-12-18(13-17)29(27,28)26-16-9-6-5-7-10-16;1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-11-7-8-13(9-14(11)24(6,22)23)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8,11-14,16,26H,5-7,9-10H2,1-4H3,(H2,22,23,24,25);7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyJWCIFFYFXQNQIU-UHFFFAOYSA-N
XLogP23.81
TPSA520.59 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002332.19
LogP ≤ 523.81
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(Cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 157212377
N,N-dimethyl-4-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N,N-dimethyl-3-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-N-(2-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160639785
3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-[[4-[4-[[5-methyl-4-(3-morpholin-4-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]benzamide
CID 91214286
1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3,3-dimethylbutan-1-one;1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbutan-1-one;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157081312
2-[4-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]piperidin-1-yl]ethanol;N-tert-butyl-3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;2-N-tert-butyl-4-N-[3-(2,5-dimethylpyrrolidin-1-yl)sulfonylphenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157347048
1-[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbutan-1-one;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-propylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157379703
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;2-N-tert-butyl-4-N-[3-(cyclohexylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpropylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157568712
1-[7-[(2-anilino-5-methylpyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;(E)-N-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)but-2-enamide;N-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide;3-[[5-methyl-4-[3-(3-methylbut-2-enoyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide;3-[[5-methyl-4-[(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 157608267
N-cyclohexyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
CID 157806565
N-cyclohexyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;N,N-diethyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157824413
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-4-N-[3-(cyclopentylmethylsulfonyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpropylsulfinyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157878958
2-(4-Cyclohexylanilino)-6-[5-(cyclopropyl-methylidene-oxo-lambda6-sulfanyl)-2-pyridinyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[4-[methyl(methylidene)-lambda4-sulfanyl]phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;8-[(2-methylphenyl)methyl]-6-[2-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 157902679

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (CID 159041401) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is CCN(CC)S(=O)(=O)c1cccc(Nc2nc(NC(C)(C)C)ncc2C)c1.Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1S(C)(=O)=O.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The InChIKey is JWCIFFYFXQNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H31N5O2S.C20H29N5O2S.C20H27N5O.C19H29N5O2S.C17H24N4O2S/c1-15-14-22-20(25-21(3,4)5)24-19(15)23-17-10-8-11-18(13-17)29(27,28)26-12-7-6-9-16(26)2;1-15-14-22-20(25-21(2,3)4)24-19(15)23-17-11-8-12-18(13-17)29(27,28)26-16-9-6-5-7-10-16;1-14-13-21-19(24-20(2,3)4)23-18(14)22-16-10-7-11-17(12-16)28(26,27)25-15-8-5-6-9-15;1-14-13-21-19(24-20(2,3)4)23-17(14)22-16-9-7-8-15(12-16)18(26)25-10-5-6-11-25;1-7-24(8-2)27(25,26)16-11-9-10-15(12-16)21-17-14(3)13-20-18(22-17)23-19(4,5)6;1-11-7-8-13(9-14(11)24(6,22)23)19-15-12(2)10-18-16(20-15)21-17(3,4)5/h8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8,11-14,16,26H,5-7,9-10H2,1-4H3,(H2,22,23,24,25);7,10-13,15,25H,5-6,8-9H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);9-13H,7-8H2,1-6H3,(H2,20,21,22,23);7-10H,1-6H3,(H2,18,19,20,21).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine has a molecular weight of 2332.19 g/mol, XLogP of 23.81, 32 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclohexylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-cyclopentylbenzenesulfonamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide;[3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-tert-butyl-5-methyl-4-N-(4-methyl-3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159041401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).