About N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one
N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one (PubChem CID 160722845) has the molecular formula C109H128F12IN21O22Si2
and a molecular weight of 2495.40 g/mol. Its IUPAC name is N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one.
Frequently Asked Questions
What is the IUPAC name of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?
The IUPAC name of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one (CID 160722845) is N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one.
What is the SMILES notation for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?
The canonical SMILES for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one is C#CCCC(=O)C(F)(F)F.C=COCC.CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cc(C#CCNC(=O)C(F)(F)F)c3c(=O)[nH]c(N)nc32)CC1O)(c1ccccc1)c1ccccc1.CN(C)C=Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]1.COC(C)N(C)C.Nc1nc2c(c(C#CCNC(=O)C(F)(F)F)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1.Nc1nc2c(c(I)cn2[C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?
The InChIKey is RTIDFDNUZPMZRO-RGVGBAFQSA-N. The full InChI is InChI=1S/C35H39F3N6O5Si.C32H34F3N5O5Si.C16H16F3N5O5.C11H13IN4O4.C6H5F3O.C5H13NO.C4H8O/c1-34(2,3)50(24-14-8-6-9-15-24,25-16-10-7-11-17-25)48-21-27-26(45)19-28(49-27)44-20-23(13-12-18-39-32(47)35(36,37)38)29-30(44)41-33(42-31(29)46)40-22-43(4)5;1-31(2,3)46(21-12-6-4-7-13-21,22-14-8-5-9-15-22)44-19-24-23(41)17-25(45-24)40-18-20(11-10-16-37-29(43)32(33,34)35)26-27(40)38-30(36)39-28(26)42;17-16(18,19)14(28)21-3-1-2-7-5-24(10-4-8(26)9(6-25)29-10)12-11(7)13(27)23-15(20)22-12;12-4-2-16(7-1-5(18)6(3-17)20-7)9-8(4)10(19)15-11(13)14-9;1-2-3-4-5(10)6(7,8)9;1-5(7-4)6(2)3;1-3-5-4-2/h6-11,14-17,20,22,26-28,45H,18-19,21H2,1-5H3,(H,39,47)(H,41,42,46);4-9,12-15,18,23-25,41H,16-17,19H2,1-3H3,(H,37,43)(H3,36,38,39,42);5,8-10,25-26H,3-4,6H2,(H,21,28)(H3,20,22,23,27);2,5-7,17-18H,1,3H2,(H3,13,14,15,19);1H,3-4H2;5H,1-4H3;3H,1,4H2,2H3/t26?,27-,28-;23?,24-,25-;8?,9-,10-;5?,6-,7-;;;/m1111.../s1.
What are the key properties of N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one?
N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one has a molecular weight of 2495.40 g/mol, XLogP of 7.53, 27 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one;N-[3-[2-amino-7-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;N-[3-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2-(dimethylaminomethylideneamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethenoxyethane;1-methoxy-N,N-dimethylethanamine;1,1,1-trifluorohex-5-yn-2-one is sourced from PubChem (CID 160722845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).