About (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 167685327) has the molecular formula C146H173ClF2N20O24S
and a molecular weight of 2697.62 g/mol. Its IUPAC name is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 167685327) is (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is CC1(C)CC(=O)N([C@@H]2CCS(=O)(=O)c3ccc(C(=O)N[C@@H]4c5ccccc5OC(C)(C)[C@H]4O)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)NC(CCc4ccccc4)c4ccccc4)cc32)C(N)=N1.CCC1(CC)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@@H]4c5cc(Cl)ccc5OC[C@@]4(C)O)cc32)C(N)=N1.CC[C@]1(C)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@@H]4C[C@@H](COC(C)F)Oc5ccccc54)cc32)C(N)=N1.CC[C@]1(C)CC(=O)N([C@@H]2CCOc3ccc(C(=O)N[C@@H]4C[C@H](COC(C)F)Oc5ccccc54)cc32)C(N)=N1.
What is the InChIKey of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is WCZHQFMTTRGARI-QRRMSCBNSA-N. The full InChI is InChI=1S/C33H38N4O3.2C29H35FN4O5.C28H33ClN4O5.C27H32N4O6S/c1-3-33(4-2)22-30(38)37(32(34)36-33)28-19-20-40-29-18-16-25(21-26(28)29)31(39)35-27(24-13-9-6-10-14-24)17-15-23-11-7-5-8-12-23;2*1-4-29(3)15-26(35)34(28(31)33-29)23-11-12-37-24-10-9-18(13-21(23)24)27(36)32-22-14-19(16-38-17(2)30)39-25-8-6-5-7-20(22)25;1-4-28(5-2)14-23(34)33(26(30)32-28)20-10-11-37-21-8-6-16(12-18(20)21)25(35)31-24-19-13-17(29)7-9-22(19)38-15-27(24,3)36;1-26(2)14-21(32)31(25(28)30-26)18-11-12-38(35,36)20-10-9-15(13-17(18)20)24(34)29-22-16-7-5-6-8-19(16)37-27(3,4)23(22)33/h5-14,16,18,21,27-28H,3-4,15,17,19-20,22H2,1-2H3,(H2,34,36)(H,35,39);2*5-10,13,17,19,22-23H,4,11-12,14-16H2,1-3H3,(H2,31,33)(H,32,36);6-9,12-13,20,24,36H,4-5,10-11,14-15H2,1-3H3,(H2,30,32)(H,31,35);5-10,13,18,22-23,33H,11-12,14H2,1-4H3,(H2,28,30)(H,29,34)/t27?,28-;17?,19-,22+,23+,29+;17?,19-,22-,23-,29-;20-,24-,27-;18-,22-,23+/m10111/s1.
What are the key properties of (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 2697.62 g/mol, XLogP of 20.20, 31 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-6-chloro-3-hydroxy-3-methyl-2,4-dihydrochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-N-(1,3-diphenylpropyl)-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-(2-amino-4,4-dimethyl-6-oxo-5H-pyrimidin-1-yl)-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2R,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;(4R)-4-[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-N-[(2S,4R)-2-(1-fluoroethoxymethyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 167685327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).