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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane

C146H230N32O13S6 — CID 159276378

IUPAC3-[[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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane
SMILESC.C.C.C.C.C.C.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)CC(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)CC2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C22H32N4O2S.C21H31N5O2S.C20H29N5O2S.C20H27N5O.C20H30N4O2S.C19H29N5O2S.C17H24N4O2S.7CH4/c1-16-14-23-21(26-22(2,3)4)25-20(16)24-18-11-8-12-19(13-18)29(27,28)15-17-9-6-5-7-10-17;1-15-14-22-20(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;1-15-14-21-19(24-20(2,3)4)23-18(15)22-16-9-8-10-17(13-16)28(26,27)25-11-6-5-7-12-25;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;1-14-12-21-18(24-20(5,6)7)23-17(14)22-15-9-8-10-16(11-15)27(25,26)13-19(2,3)4;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;;;;;;;/h8,11-14,17H,5-7,9-10,15H2,1-4H3,(H2,23,24,25,26);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8-10,13-14H,5-7,11-12H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);8-12H,13H2,1-7H3,(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);7*1H4
InChIKeyKYIYCIQHGJQLNI-UHFFFAOYSA-N
MW2834.06 g/mol
LogP33.52
Rot. Bonds36

About 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane

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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane (PubChem CID 159276378) has the molecular formula C146H230N32O13S6 and a molecular weight of 2834.06 g/mol. Its IUPAC name is 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane.

Molecular Properties

Compound Name3-[[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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane
PubChem CID159276378
Molecular FormulaC146H230N32O13S6
Molecular Weight2834.06 g/mol
Exact Mass2831.66
IUPAC Name3-[[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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane
SMILESC.C.C.C.C.C.C.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)CC(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)CC2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1
InChIInChI=1S/C22H32N4O2S.C21H31N5O2S.C20H29N5O2S.C20H27N5O.C20H30N4O2S.C19H29N5O2S.C17H24N4O2S.7CH4/c1-16-14-23-21(26-22(2,3)4)25-20(16)24-18-11-8-12-19(13-18)29(27,28)15-17-9-6-5-7-10-17;1-15-14-22-20(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;1-15-14-21-19(24-20(2,3)4)23-18(15)22-16-9-8-10-17(13-16)28(26,27)25-11-6-5-7-12-25;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;1-14-12-21-18(24-20(5,6)7)23-17(14)22-15-9-8-10-16(11-15)27(25,26)13-19(2,3)4;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;;;;;;;/h8,11-14,17H,5-7,9-10,15H2,1-4H3,(H2,23,24,25,26);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8-10,13-14H,5-7,11-12H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);8-12H,13H2,1-7H3,(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);7*1H4
InChIKeyKYIYCIQHGJQLNI-UHFFFAOYSA-N
XLogP33.52
TPSA583.75 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002834.06
LogP ≤ 533.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane with MolForge

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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
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-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 157661400
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
4-[[4-[3-(tert-butylsulfonylmethyl)anilino]-5-methylpyrimidin-2-yl]amino]-2-fluoro-N-[1-[3-[[3-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]methylsulfonyl]-3-methylbutyl]piperidin-4-yl]benzamide
CID 166847982
17-[(5,16-Difluoro-11-methyl-22-oxo-4,7,9,13,21,29-hexazapentacyclo[21.2.2.12,6.18,12.114,18]triaconta-1(25),2(30),3,5,8,10,12(29),14,16,18(28),23,26-dodecaen-24-yl)sulfonylmethyl]-5-fluoro-11-methyl-1,4,7,9,13,22,24,30-octazapentacyclo[22.2.2.12,6.18,12.114,18]hentriaconta-2(31),3,5,8,10,12(30),14(29),15,17-nonaen-23-one
CID 169685588
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-(4-chloro-3-methylphenyl)-2,5-dimethylpyrimidin-4-amine;N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2,5-dimethylpyrimidin-4-amine;N-[3-[(2,5-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;[3-[(2,5-dimethylpyrimidin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;methane
CID 157637940
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

Frequently Asked Questions

What is the IUPAC name of 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane?
The IUPAC name of 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane (CID 159276378) is 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane.
What is the SMILES notation for 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane?
The canonical SMILES for 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane is C.C.C.C.C.C.C.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)CC(C)(C)C)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)CC2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(=O)(=O)N2CCCCC2C)c1.
What is the InChIKey of 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane?
The InChIKey is KYIYCIQHGJQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S.C21H31N5O2S.C20H29N5O2S.C20H27N5O.C20H30N4O2S.C19H29N5O2S.C17H24N4O2S.7CH4/c1-16-14-23-21(26-22(2,3)4)25-20(16)24-18-11-8-12-19(13-18)29(27,28)15-17-9-6-5-7-10-17;1-15-14-22-20(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;1-15-14-21-19(24-20(2,3)4)23-18(15)22-16-9-8-10-17(13-16)28(26,27)25-11-6-5-7-12-25;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;1-14-12-21-18(24-20(5,6)7)23-17(14)22-15-9-8-10-16(11-15)27(25,26)13-19(2,3)4;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;;;;;;;/h8,11-14,17H,5-7,9-10,15H2,1-4H3,(H2,23,24,25,26);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,22,23,24,25);8-10,13-14H,5-7,11-12H2,1-4H3,(H2,21,22,23,24);7-9,12-13H,5-6,10-11H2,1-4H3,(H2,21,22,23,24);8-12H,13H2,1-7H3,(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);7*1H4.
What are the key properties of 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane?
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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane has a molecular weight of 2834.06 g/mol, XLogP of 33.52, 36 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(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-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;methane is sourced from PubChem (CID 159276378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).