About 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 158735545) has the molecular formula C128H158Cl4F4N36O4
and a molecular weight of 2482.72 g/mol. Its IUPAC name is 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
Frequently Asked Questions
What is the IUPAC name of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 158735545) is 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C3CC3)n[nH]2)n1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCCN(C(=O)CN(C)C)C4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C[C@H](O)C(F)(F)F)CC4)cc3C)ncc2C)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5c(C)noc5C)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5c(C)noc5C)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ILQBHZMJHUREAV-DTUIDJDCSA-N. The full InChI is InChI=1S/C27H33ClN8O.C26H30ClFN8O.C25H33ClN8O.C25H30ClN5.C25H32F3N7O/c1-15-11-24(30-27-29-13-23(28)26(32-27)31-25-12-17(3)33-34-25)16(2)10-21(15)20-6-8-36(9-7-20)14-22-18(4)35-37-19(22)5;1-14-9-23(30-26-29-12-21(27)25(32-26)31-24-10-15(2)33-34-24)22(28)11-19(14)18-5-7-36(8-6-18)13-20-16(3)35-37-17(20)4;1-15-10-21(28-25-27-12-20(26)24(30-25)29-22-11-17(3)31-32-22)16(2)9-19(15)18-7-6-8-34(13-18)23(35)14-33(4)5;1-15-10-21(17-5-7-27-8-6-17)16(2)9-19(15)11-25-28-14-22(26)24(29-25)13-20-12-23(31-30-20)18-3-4-18;1-14-10-20(30-24-29-12-16(3)23(32-24)31-22-11-17(4)33-34-22)15(2)9-19(14)18-5-7-35(8-6-18)13-21(36)25(26,27)28/h10-13,20H,6-9,14H2,1-5H3,(H3,29,30,31,32,33,34);9-12,18H,5-8,13H2,1-4H3,(H3,29,30,31,32,33,34);9-12,18H,6-8,13-14H2,1-5H3,(H3,27,28,29,30,31,32);9-10,12,14,17-18,27H,3-8,11,13H2,1-2H3,(H,30,31);9-12,18,21,36H,5-8,13H2,1-4H3,(H3,29,30,31,32,33,34)/t;;;;21-/m....0/s1.
What are the key properties of 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol?
5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 2482.72 g/mol, XLogP of 26.88, 34 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 158735545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).