N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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

C153H196N36O17S7 — CID 160684280

IUPACN-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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
SMILESCCOC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)c1C.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1S(C)(=O)=O.Cc1cnc(Nc2ccc(C[N+]3([O-])CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C27H36N6O4S2.C27H36N6O3S.C27H35N5O4S2.C26H32N6O2.C24H30N6O2S.C22H27N7O2S/c1-20-18-28-26(30-22-9-7-11-24(17-22)39(36,37)33-14-12-32(5)13-15-33)31-25(20)29-21-8-6-10-23(16-21)38(34,35)19-27(2,3)4;1-20-18-28-26(30-22-13-11-21(12-14-22)19-33(34)15-6-5-7-16-33)31-25(20)29-23-9-8-10-24(17-23)37(35,36)32-27(2,3)4;1-20-18-28-26(30-22-11-9-13-24(17-22)38(35,36)32-14-6-5-7-15-32)31-25(20)29-21-10-8-12-23(16-21)37(33,34)19-27(2,3)4;1-5-34-25(33)22-7-6-8-23(19(22)3)29-24-18(2)17-27-26(30-24)28-20-9-11-21(12-10-20)32-15-13-31(4)14-16-32;1-17-5-6-20(15-22(17)33(4,31)32)26-23-18(2)16-25-24(28-23)27-19-7-9-21(10-8-19)30-13-11-29(3)12-14-30;1-16-15-24-22(27-21(16)25-18-4-3-5-20(14-18)32(23,30)31)26-17-6-8-19(9-7-17)29-12-10-28(2)11-13-29/h6-11,16-18H,12-15,19H2,1-5H3,(H2,28,29,30,31);8-14,17-18,32H,5-7,15-16,19H2,1-4H3,(H2,28,29,30,31);8-13,16-18H,5-7,14-15,19H2,1-4H3,(H2,28,29,30,31);6-12,17H,5,13-16H2,1-4H3,(H2,27,28,29,30);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)
InChIKeyRONZNINXHKKJPC-UHFFFAOYSA-N
MW3035.95 g/mol
LogP25.56
Rot. Bonds43

About N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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

N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 (PubChem CID 160684280) has the molecular formula C153H196N36O17S7 and a molecular weight of 3035.95 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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
PubChem CID160684280
Molecular FormulaC153H196N36O17S7
Molecular Weight3035.95 g/mol
Exact Mass3033.36
IUPAC NameN-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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
SMILESCCOC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)c1C.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1S(C)(=O)=O.Cc1cnc(Nc2ccc(C[N+]3([O-])CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1
InChIInChI=1S/C27H36N6O4S2.C27H36N6O3S.C27H35N5O4S2.C26H32N6O2.C24H30N6O2S.C22H27N7O2S/c1-20-18-28-26(30-22-9-7-11-24(17-22)39(36,37)33-14-12-32(5)13-15-33)31-25(20)29-21-8-6-10-23(16-21)38(34,35)19-27(2,3)4;1-20-18-28-26(30-22-13-11-21(12-14-22)19-33(34)15-6-5-7-16-33)31-25(20)29-23-9-8-10-24(17-23)37(35,36)32-27(2,3)4;1-20-18-28-26(30-22-11-9-13-24(17-22)38(35,36)32-14-6-5-7-15-32)31-25(20)29-21-10-8-12-23(16-21)37(33,34)19-27(2,3)4;1-5-34-25(33)22-7-6-8-23(19(22)3)29-24-18(2)17-27-26(30-24)28-20-9-11-21(12-10-20)32-15-13-31(4)14-16-32;1-17-5-6-20(15-22(17)33(4,31)32)26-23-18(2)16-25-24(28-23)27-19-7-9-21(10-8-19)30-13-11-29(3)12-14-30;1-16-15-24-22(27-21(16)25-18-4-3-5-20(14-18)32(23,30)31)26-17-6-8-19(9-7-17)29-12-10-28(2)11-13-29/h6-11,16-18H,12-15,19H2,1-5H3,(H2,28,29,30,31);8-14,17-18,32H,5-7,15-16,19H2,1-4H3,(H2,28,29,30,31);8-13,16-18H,5-7,14-15,19H2,1-4H3,(H2,28,29,30,31);6-12,17H,5,13-16H2,1-4H3,(H2,27,28,29,30);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27)
InChIKeyRONZNINXHKKJPC-UHFFFAOYSA-N
XLogP25.56
TPSA654.59 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003035.95
LogP ≤ 525.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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?
The IUPAC name of N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 (CID 160684280) is N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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.
What is the SMILES notation for N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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?
The canonical SMILES for N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 is CCOC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)c1C.Cc1ccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C)cc1S(C)(=O)=O.Cc1cnc(Nc2ccc(C[N+]3([O-])CCCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(S(N)(=O)=O)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.Cc1cnc(Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nc1Nc1cccc(S(=O)(=O)CC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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?
The InChIKey is RONZNINXHKKJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4S2.C27H36N6O3S.C27H35N5O4S2.C26H32N6O2.C24H30N6O2S.C22H27N7O2S/c1-20-18-28-26(30-22-9-7-11-24(17-22)39(36,37)33-14-12-32(5)13-15-33)31-25(20)29-21-8-6-10-23(16-21)38(34,35)19-27(2,3)4;1-20-18-28-26(30-22-13-11-21(12-14-22)19-33(34)15-6-5-7-16-33)31-25(20)29-23-9-8-10-24(17-23)37(35,36)32-27(2,3)4;1-20-18-28-26(30-22-11-9-13-24(17-22)38(35,36)32-14-6-5-7-15-32)31-25(20)29-21-10-8-12-23(16-21)37(33,34)19-27(2,3)4;1-5-34-25(33)22-7-6-8-23(19(22)3)29-24-18(2)17-27-26(30-24)28-20-9-11-21(12-10-20)32-15-13-31(4)14-16-32;1-17-5-6-20(15-22(17)33(4,31)32)26-23-18(2)16-25-24(28-23)27-19-7-9-21(10-8-19)30-13-11-29(3)12-14-30;1-16-15-24-22(27-21(16)25-18-4-3-5-20(14-18)32(23,30)31)26-17-6-8-19(9-7-17)29-12-10-28(2)11-13-29/h6-11,16-18H,12-15,19H2,1-5H3,(H2,28,29,30,31);8-14,17-18,32H,5-7,15-16,19H2,1-4H3,(H2,28,29,30,31);8-13,16-18H,5-7,14-15,19H2,1-4H3,(H2,28,29,30,31);6-12,17H,5,13-16H2,1-4H3,(H2,27,28,29,30);5-10,15-16H,11-14H2,1-4H3,(H2,25,26,27,28);3-9,14-15H,10-13H2,1-2H3,(H2,23,30,31)(H2,24,25,26,27).
What are the key properties of N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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?
N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 has a molecular weight of 3035.95 g/mol, XLogP of 25.56, 43 rotatable bonds, 14 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-methyl-2-[4-[(1-oxidopiperidin-1-ium-1-yl)methyl]anilino]pyrimidin-4-yl]amino]benzenesulfonamide;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine;ethyl 2-methyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate;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 is sourced from PubChem (CID 160684280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).