6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine

C263H359N43O36S9 — CID 157065307

IUPAC6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine
SMILESCC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1
InChIInChI=1S/C30H44N6O4S.C30H41N5O4S.C30H40N4O4S.C29H42N6O4S.C29H39N5O4S.C29H41N5O4S.2C29H38N4O4S.C28H36N4O4S/c1-6-31-14-17-39-18-15-32-16-19-40-26-12-10-24(11-13-26)35-29-33-21-23(2)28(36-29)34-25-8-7-9-27(20-25)41(37,38)22-30(3,4)5;1-6-31-27(36)13-8-7-9-18-39-25-16-14-23(15-17-25)34-29-32-20-22(2)28(35-29)33-24-11-10-12-26(19-24)40(37,38)21-30(3,4)5;1-6-10-25(35)12-7-8-18-38-26-16-14-23(15-17-26)33-29-31-20-22(2)28(34-29)32-24-11-9-13-27(19-24)39(36,37)21-30(3,4)5;1-22-20-32-28(34-23-9-11-25(12-10-23)39-18-15-31-14-17-38-16-13-30-5)35-27(22)33-24-7-6-8-26(19-24)40(36,37)21-29(2,3)4;1-21-19-31-28(33-22-13-15-24(16-14-22)38-17-8-6-7-12-26(35)30-5)34-27(21)32-23-10-9-11-25(18-23)39(36,37)20-29(2,3)4;1-6-16-37-17-14-30-15-18-38-25-12-10-23(11-13-25)33-28-31-20-22(2)27(34-28)32-24-8-7-9-26(19-24)39(35,36)21-29(3,4)5;1-21-19-30-28(32-23-13-15-25(16-14-23)37-17-8-6-7-10-22(2)34)33-27(21)31-24-11-9-12-26(18-24)38(35,36)20-29(3,4)5;1-6-24(34)11-7-8-17-37-25-15-13-22(14-16-25)32-28-30-19-21(2)27(33-28)31-23-10-9-12-26(18-23)38(35,36)20-29(3,4)5;1-20-18-29-27(31-22-12-14-24(15-13-22)36-16-7-6-9-21(2)33)32-26(20)30-23-10-8-11-25(17-23)37(34,35)19-28(3,4)5/h7-13,20-21,31-32H,6,14-19,22H2,1-5H3,(H2,33,34,35,36);10-12,14-17,19-20H,6-9,13,18,21H2,1-5H3,(H,31,36)(H2,32,33,34,35);9,11,13-17,19-20H,6-8,10,12,18,21H2,1-5H3,(H2,31,32,33,34);6-12,19-20,30-31H,13-18,21H2,1-5H3,(H2,32,33,34,35);9-11,13-16,18-19H,6-8,12,17,20H2,1-5H3,(H,30,35)(H2,31,32,33,34);7-13,19-20,30H,6,14-18,21H2,1-5H3,(H2,31,32,33,34);9,11-16,18-19H,6-8,10,17,20H2,1-5H3,(H2,30,31,32,33);9-10,12-16,18-19H,6-8,11,17,20H2,1-5H3,(H2,30,31,32,33);8,10-15,17-18H,6-7,9,16,19H2,1-5H3,(H2,29,30,31,32)
InChIKeyABUQIVVXSYXQBI-UHFFFAOYSA-N
MW4987.63 g/mol
LogP52.90
Rot. Bonds127

About 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine

6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine (PubChem CID 157065307) has the molecular formula C263H359N43O36S9 and a molecular weight of 4987.63 g/mol. Its IUPAC name is 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine
PubChem CID157065307
Molecular FormulaC263H359N43O36S9
Molecular Weight4987.63 g/mol
Exact Mass4983.51
IUPAC Name6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine
SMILESCC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1
InChIInChI=1S/C30H44N6O4S.C30H41N5O4S.C30H40N4O4S.C29H42N6O4S.C29H39N5O4S.C29H41N5O4S.2C29H38N4O4S.C28H36N4O4S/c1-6-31-14-17-39-18-15-32-16-19-40-26-12-10-24(11-13-26)35-29-33-21-23(2)28(36-29)34-25-8-7-9-27(20-25)41(37,38)22-30(3,4)5;1-6-31-27(36)13-8-7-9-18-39-25-16-14-23(15-17-25)34-29-32-20-22(2)28(35-29)33-24-11-10-12-26(19-24)40(37,38)21-30(3,4)5;1-6-10-25(35)12-7-8-18-38-26-16-14-23(15-17-26)33-29-31-20-22(2)28(34-29)32-24-11-9-13-27(19-24)39(36,37)21-30(3,4)5;1-22-20-32-28(34-23-9-11-25(12-10-23)39-18-15-31-14-17-38-16-13-30-5)35-27(22)33-24-7-6-8-26(19-24)40(36,37)21-29(2,3)4;1-21-19-31-28(33-22-13-15-24(16-14-22)38-17-8-6-7-12-26(35)30-5)34-27(21)32-23-10-9-11-25(18-23)39(36,37)20-29(2,3)4;1-6-16-37-17-14-30-15-18-38-25-12-10-23(11-13-25)33-28-31-20-22(2)27(34-28)32-24-8-7-9-26(19-24)39(35,36)21-29(3,4)5;1-21-19-30-28(32-23-13-15-25(16-14-23)37-17-8-6-7-10-22(2)34)33-27(21)31-24-11-9-12-26(18-24)38(35,36)20-29(3,4)5;1-6-24(34)11-7-8-17-37-25-15-13-22(14-16-25)32-28-30-19-21(2)27(33-28)31-23-10-9-12-26(18-23)38(35,36)20-29(3,4)5;1-20-18-29-27(31-22-12-14-24(15-13-22)36-16-7-6-9-21(2)33)32-26(20)30-23-10-8-11-25(17-23)37(34,35)19-28(3,4)5/h7-13,20-21,31-32H,6,14-19,22H2,1-5H3,(H2,33,34,35,36);10-12,14-17,19-20H,6-9,13,18,21H2,1-5H3,(H,31,36)(H2,32,33,34,35);9,11,13-17,19-20H,6-8,10,12,18,21H2,1-5H3,(H2,31,32,33,34);6-12,19-20,30-31H,13-18,21H2,1-5H3,(H2,32,33,34,35);9-11,13-16,18-19H,6-8,12,17,20H2,1-5H3,(H,30,35)(H2,31,32,33,34);7-13,19-20,30H,6,14-18,21H2,1-5H3,(H2,31,32,33,34);9,11-16,18-19H,6-8,10,17,20H2,1-5H3,(H2,30,31,32,33);9-10,12-16,18-19H,6-8,11,17,20H2,1-5H3,(H2,30,31,32,33);8,10-15,17-18H,6-7,9,16,19H2,1-5H3,(H2,29,30,31,32)
InChIKeyABUQIVVXSYXQBI-UHFFFAOYSA-N
XLogP52.90
TPSA1053.21 Ų
H-Bond Donors25
H-Bond Acceptors77
Rotatable Bonds127
Heavy Atoms351
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004987.63
LogP ≤ 552.90
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1077

Analyze 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine (CID 157065307) is 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine is CC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCC(=O)CCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CCNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNC(=O)CCCCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.CNCCOCCNCCOc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)CC(C)(C)C)c3)n2)cc1.
What is the InChIKey of 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?
The InChIKey is ABUQIVVXSYXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O4S.C30H41N5O4S.C30H40N4O4S.C29H42N6O4S.C29H39N5O4S.C29H41N5O4S.2C29H38N4O4S.C28H36N4O4S/c1-6-31-14-17-39-18-15-32-16-19-40-26-12-10-24(11-13-26)35-29-33-21-23(2)28(36-29)34-25-8-7-9-27(20-25)41(37,38)22-30(3,4)5;1-6-31-27(36)13-8-7-9-18-39-25-16-14-23(15-17-25)34-29-32-20-22(2)28(35-29)33-24-11-10-12-26(19-24)40(37,38)21-30(3,4)5;1-6-10-25(35)12-7-8-18-38-26-16-14-23(15-17-26)33-29-31-20-22(2)28(34-29)32-24-11-9-13-27(19-24)39(36,37)21-30(3,4)5;1-22-20-32-28(34-23-9-11-25(12-10-23)39-18-15-31-14-17-38-16-13-30-5)35-27(22)33-24-7-6-8-26(19-24)40(36,37)21-29(2,3)4;1-21-19-31-28(33-22-13-15-24(16-14-22)38-17-8-6-7-12-26(35)30-5)34-27(21)32-23-10-9-11-25(18-23)39(36,37)20-29(2,3)4;1-6-16-37-17-14-30-15-18-38-25-12-10-23(11-13-25)33-28-31-20-22(2)27(34-28)32-24-8-7-9-26(19-24)39(35,36)21-29(3,4)5;1-21-19-30-28(32-23-13-15-25(16-14-23)37-17-8-6-7-10-22(2)34)33-27(21)31-24-11-9-12-26(18-24)38(35,36)20-29(3,4)5;1-6-24(34)11-7-8-17-37-25-15-13-22(14-16-25)32-28-30-19-21(2)27(33-28)31-23-10-9-12-26(18-23)38(35,36)20-29(3,4)5;1-20-18-29-27(31-22-12-14-24(15-13-22)36-16-7-6-9-21(2)33)32-26(20)30-23-10-8-11-25(17-23)37(34,35)19-28(3,4)5/h7-13,20-21,31-32H,6,14-19,22H2,1-5H3,(H2,33,34,35,36);10-12,14-17,19-20H,6-9,13,18,21H2,1-5H3,(H,31,36)(H2,32,33,34,35);9,11,13-17,19-20H,6-8,10,12,18,21H2,1-5H3,(H2,31,32,33,34);6-12,19-20,30-31H,13-18,21H2,1-5H3,(H2,32,33,34,35);9-11,13-16,18-19H,6-8,12,17,20H2,1-5H3,(H,30,35)(H2,31,32,33,34);7-13,19-20,30H,6,14-18,21H2,1-5H3,(H2,31,32,33,34);9,11-16,18-19H,6-8,10,17,20H2,1-5H3,(H2,30,31,32,33);9-10,12-16,18-19H,6-8,11,17,20H2,1-5H3,(H2,30,31,32,33);8,10-15,17-18H,6-7,9,16,19H2,1-5H3,(H2,29,30,31,32).
What are the key properties of 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine?
6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine has a molecular weight of 4987.63 g/mol, XLogP of 52.90, 127 rotatable bonds, 25 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-ethylhexanamide;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-2-one;7-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]heptan-3-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]hexan-2-one;6-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]-N-methylhexanamide;8-[4-[[4-[3-(2,2-dimethylpropylsulfonyl)anilino]-5-methylpyrimidin-2-yl]amino]phenoxy]octan-4-one;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-2-N-[4-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]phenyl]-5-methylpyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]phenyl]pyrimidine-2,4-diamine;4-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-5-methyl-2-N-[4-[2-(2-propoxyethylamino)ethoxy]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157065307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).