About 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 161314690) has the molecular formula C68H116N20O7
and a molecular weight of 1357.00 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide (CID 161314690) is 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide is [2H]C([2H])([2H])C1CCC(Nc2nc(NC(C)(C)C)ncc2C(N)=O)CC1C.[2H]C([2H])([2H])[C@@H]1C([2H])([2H])CC(Nc2nc(NC(C)(C)C([2H])([2H])[2H])ncc2C(N)=O)C([2H])([2H])[C@@]1(C)O.[2H]C([2H])([2H])[C@@H]1C([2H])([2H])CC(Nc2nc(NC(C)(C)C)ncc2C(N)=O)C([2H])([2H])[C@@]1(C)O.[2H]C1([2H])C([2H])(Nc2nc(NC(C)(C)C)ncc2C(N)=O)C([2H])([2H])[C@@](C)(O)[C@@]([2H])(C([2H])([2H])[2H])C1([2H])[2H].
What is the InChIKey of 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is VJIOTLQLKZBTCO-STTCOECQSA-N. The full InChI is InChI=1S/3C17H29N5O2.C17H29N5O/c3*1-10-6-7-11(8-17(10,5)24)20-14-12(13(18)23)9-19-15(21-14)22-16(2,3)4;1-10-6-7-12(8-11(10)2)20-15-13(14(18)23)9-19-16(21-15)22-17(3,4)5/h3*9-11,24H,6-8H2,1-5H3,(H2,18,23)(H2,19,20,21,22);9-12H,6-8H2,1-5H3,(H2,18,23)(H2,19,20,21,22)/t10-,11?,17+;2*10-,11?,17-;/m011./s1/i1D3,6D2,7D2,8D2,10D,11D;1D3,2D3,6D2,8D2;1D3,6D2,8D2;1D3.
What are the key properties of 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 1357.00 g/mol, XLogP of 9.43, 20 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[[3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(4S,5R)-1,2,2,3,3,4,6,6-octadeuterio-5-hydroxy-5-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;2-(tert-butylamino)-4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide;4-[[(3R,4R)-2,2,5,5-tetradeuterio-3-hydroxy-3-methyl-4-(trideuteriomethyl)cyclohexyl]amino]-2-[(1,1,1-trideuterio-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 161314690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).