About (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol
(1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol (PubChem CID 157050961) has the molecular formula C137H147F14N19O21
and a molecular weight of 2661.77 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol.
Frequently Asked Questions
What is the IUPAC name of (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol (CID 157050961) is (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol is C#Cc1cccc2c(C[C@@H]3C[C@H](C(O)c4ccc(F)c(F)c4)[C@@H](O)[C@H]3O)ncnc12.C#Cc1cccc2c(C[C@@H]3C[C@H](C(O)c4ccc(F)c(F)c4)[C@@H](O)[C@H]3O)ncnc12.CN(c1ccncn1)[C@@H]1C[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O.Cc1cc(N(C)[C@@H]2C[C@H]([C@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)nc(C)n1.Cc1cccc(N(C)[C@@H]2C[C@H]([C@@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)n1.Cc1ccnc(N(C)[C@@H]2C[C@H]([C@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)c1.Cc1nc(N)nc(N(C)[C@@H]2C[C@H]([C@@H](O)c3ccc(F)c(F)c3)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol?
The InChIKey is AAEWHAQTRRZIIQ-RAIGUHPJSA-N. The full InChI is InChI=1S/2C23H20F2N2O3.C19H23F2N3O3.2C19H22F2N2O3.C17H21F2N5O3.C17H19F2N3O3/c2*1-2-12-4-3-5-15-19(26-11-27-20(12)15)10-14-8-16(23(30)22(14)29)21(28)13-6-7-17(24)18(25)9-13;1-9-6-16(23-10(2)22-9)24(3)15-8-12(18(26)19(15)27)17(25)11-4-5-13(20)14(21)7-11;1-10-5-6-22-16(7-10)23(2)15-9-12(18(25)19(15)26)17(24)11-3-4-13(20)14(21)8-11;1-10-4-3-5-16(22-10)23(2)15-9-12(18(25)19(15)26)17(24)11-6-7-13(20)14(21)8-11;1-7-21-16(20)23-17(22-7)24(2)12-6-9(14(26)15(12)27)13(25)8-3-4-10(18)11(19)5-8;1-22(14-4-5-20-8-21-14)13-7-10(16(24)17(13)25)15(23)9-2-3-11(18)12(19)6-9/h2*1,3-7,9,11,14,16,21-23,28-30H,8,10H2;4-7,12,15,17-19,25-27H,8H2,1-3H3;2*3-8,12,15,17-19,24-26H,9H2,1-2H3;3-5,9,12-15,25-27H,6H2,1-2H3,(H2,20,21,22,23);2-6,8,10,13,15-17,23-25H,7H2,1H3/t2*14-,16+,21?,22-,23+;2*12-,15-,17-,18-,19+;12-,15-,17+,18-,19+;9-,12-,13+,14-,15+;10-,13-,15-,16-,17+/m0011111/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol has a molecular weight of 2661.77 g/mol, XLogP of 11.95, 28 rotatable bonds, 22 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)-methylamino]-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclopentane-1,2-diol;bis((1S,2R,3R,5S)-3-[(3,4-difluorophenyl)-hydroxymethyl]-5-[(8-ethynylquinazolin-4-yl)methyl]cyclopentane-1,2-diol);(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(4-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(R)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl-(6-methyl-2-pyridinyl)amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-[(S)-(3,4-difluorophenyl)-hydroxymethyl]-5-[methyl(pyrimidin-4-yl)amino]cyclopentane-1,2-diol is sourced from PubChem (CID 157050961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).