About 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 159404106) has the molecular formula C152H182ClN35O4S
and a molecular weight of 2630.89 g/mol. Its IUPAC name is 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide (CID 159404106) is 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide is CNS(=O)(=O)c1cc(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C)ccc1C.Cc1cn(-c2ccc(Nc3ncc(C)c(Nc4cccc(C(C)(C)C)c4)n3)cc2)cn1.Cc1cnc(Nc2ccc(-n3ccnc3C)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C(C)N3CCOCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(C3CCNCC3)cc2)nc1Nc1cccc(C(C)(C)C)c1.Cc1cnc(Nc2ccc(CN3CCNCC3)cc2)nc1Nc1ccc(Cl)c2[nH]ccc12.
What is the InChIKey of 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is LNSPYDSVPBYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O.C26H33N5.C25H32N6O3S.2C25H28N6.C24H26ClN7/c1-19-18-28-26(31-25(19)29-24-8-6-7-22(17-24)27(3,4)5)30-23-11-9-21(10-12-23)20(2)32-13-15-33-16-14-32;1-18-17-28-25(30-22-10-8-19(9-11-22)20-12-14-27-15-13-20)31-24(18)29-23-7-5-6-21(16-23)26(2,3)4;1-18-6-7-21(16-23(18)35(32,33)26-3)28-24-19(2)17-27-25(30-24)29-20-8-10-22(11-9-20)34-15-14-31-12-4-5-13-31;1-17-14-26-24(29-20-9-11-22(12-10-20)31-15-18(2)27-16-31)30-23(17)28-21-8-6-7-19(13-21)25(3,4)5;1-17-16-27-24(29-20-9-11-22(12-10-20)31-14-13-26-18(31)2)30-23(17)28-21-8-6-7-19(15-21)25(3,4)5;1-16-14-28-24(29-18-4-2-17(3-5-18)15-32-12-10-26-11-13-32)31-23(16)30-21-7-6-20(25)22-19(21)8-9-27-22/h6-12,17-18,20H,13-16H2,1-5H3,(H2,28,29,30,31);5-11,16-17,20,27H,12-15H2,1-4H3,(H2,28,29,30,31);6-11,16-17,26H,4-5,12-15H2,1-3H3,(H2,27,28,29,30);6-16H,1-5H3,(H2,26,28,29,30);6-16H,1-5H3,(H2,27,28,29,30);2-9,14,26-27H,10-13,15H2,1H3,(H2,28,29,30,31).
What are the key properties of 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide?
4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 2630.89 g/mol, XLogP of 32.90, 37 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(4-methylimidazol-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;N,2-dimethyl-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159404106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).