About 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 162046242) has the molecular formula C141H182Cl5N25O15S5
and a molecular weight of 2841.99 g/mol. Its IUPAC name is 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 162046242) is 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(C3CCNCC3)cc2OC(C)C)ncc1Cl.[2H]C([2H])([2H])C([2H])(Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)(C)C)n1)C([2H])([2H])[2H].[2H]C([2H])([2H])C([2H])(Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])n1)C([2H])([2H])[2H].[2H]C1([2H])CC([2H])(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC([2H])([2H])N1.[2H]C1([2H])CC(c2cc(OC(C)C)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC([2H])([2H])N1.
What is the InChIKey of 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is YXXRSXNZRGMSNX-RFPJPKJASA-N. The full InChI is InChI=1S/C29H38ClN5O3S.4C28H36ClN5O3S/c1-18(2)38-25-16-21(20-11-13-31-14-12-20)19(3)15-24(25)34-28-32-17-22(30)27(35-28)33-23-9-7-8-10-26(23)39(36,37)29(4,5)6;4*1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h7-10,15-18,20,31H,11-14H2,1-6H3,(H2,32,33,34,35);4*6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)/i1D3,2D3,18D;1D3,2D3,3D3,4D3,17D,18D;12D2,13D2,20D;3D3,4D3,18D;12D2,13D2.
What are the key properties of 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine?
4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2841.99 g/mol, XLogP of 32.20, 52 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylsulfonylphenyl)-5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylsulfonyl)phenyl]-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-4-(2,2,4,6,6-pentadeuteriopiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methyl-2-propan-2-yloxy-4-(2,2,6,6-tetradeuteriopiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162046242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).