(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one

C110H135F6I3N16O14Si3 — CID 158219724

About (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one

(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one (PubChem CID 158219724) has the molecular formula C110H135F6I3N16O14Si3 and a molecular weight of 2484.35 g/mol. Its IUPAC name is (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one.

Molecular Properties

• Compound Name: (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one
• PubChem CID: 158219724
• Molecular Formula: C110H135F6I3N16O14Si3
• Molecular Weight: 2484.35 g/mol
• Exact Mass: 2482.67
• IUPAC Name: (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one
• SMILES: C.C.C.C.C#CCCC(=O)C(F)(F)F.CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)CC1O)(c1ccccc1)c1ccccc1.CNc1ncnc2c1c(C#CCCC(=O)C(F)(F)F)cn2[C@H]1CC(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.CNc1ncnc2c1c(I)cn2[C@H]1CC(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.Nc1ncnc2c1c(I)cn2[C@H]1CC(O)[C@@H](CO)O1
• InChI: InChI=1S/C34H37F3N4O4Si.C28H33IN4O3Si.C27H31IN4O3Si.C11H13IN4O3.C6H5F3O.4CH4/c1-33(2,3)46(24-14-7-5-8-15-24,25-16-9-6-10-17-25)44-21-27-26(42)19-29(45-27)41-20-23(13-11-12-18-28(43)34(35,36)37)30-31(38-4)39-22-40-32(30)41;1-28(2,3)37(19-11-7-5-8-12-19,20-13-9-6-10-14-20)35-17-23-22(34)15-24(36-23)33-16-21(29)25-26(30-4)31-18-32-27(25)33;1-27(2,3)36(18-10-6-4-7-11-18,19-12-8-5-9-13-19)34-16-22-21(33)14-23(35-22)32-15-20(28)24-25(29)30-17-31-26(24)32;12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11;1-2-3-4-5(10)6(7,8)9;;;;/h5-10,14-17,20,22,26-27,29,42H,12,18-19,21H2,1-4H3,(H,38,39,40);5-14,16,18,22-24,34H,15,17H2,1-4H3,(H,30,31,32);4-13,15,17,21-23,33H,14,16H2,1-3H3,(H2,29,30,31);2,4,6-8,17-18H,1,3H2,(H2,13,14,15);1H,3-4H2;4*1H4/t26?,27-,29-;22?,23-,24-;21?,22-,23-;6?,7-,8-;;;;;/m1111...../s1
• InChIKey: GDCFGXVBZJZTLH-PCDNKUFKSA-N
• XLogP: 17.44
• TPSA: 398.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2484.35
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one?

The IUPAC name of (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one (CID 158219724) is (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one.

What is the SMILES notation for (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one?

The canonical SMILES for (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one is C.C.C.C.C#CCCC(=O)C(F)(F)F.CC(C)(C)[Si](OC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)CC1O)(c1ccccc1)c1ccccc1.CNc1ncnc2c1c(C#CCCC(=O)C(F)(F)F)cn2[C@H]1CC(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.CNc1ncnc2c1c(I)cn2[C@H]1CC(O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.Nc1ncnc2c1c(I)cn2[C@H]1CC(O)[C@@H](CO)O1.

What is the InChIKey of (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one?

The InChIKey is GDCFGXVBZJZTLH-PCDNKUFKSA-N. The full InChI is InChI=1S/C34H37F3N4O4Si.C28H33IN4O3Si.C27H31IN4O3Si.C11H13IN4O3.C6H5F3O.4CH4/c1-33(2,3)46(24-14-7-5-8-15-24,25-16-9-6-10-17-25)44-21-27-26(42)19-29(45-27)41-20-23(13-11-12-18-28(43)34(35,36)37)30-31(38-4)39-22-40-32(30)41;1-28(2,3)37(19-11-7-5-8-12-19,20-13-9-6-10-14-20)35-17-23-22(34)15-24(36-23)33-16-21(29)25-26(30-4)31-18-32-27(25)33;1-27(2,3)36(18-10-6-4-7-11-18,19-12-8-5-9-13-19)34-16-22-21(33)14-23(35-22)32-15-20(28)24-25(29)30-17-31-26(24)32;12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11;1-2-3-4-5(10)6(7,8)9;;;;/h5-10,14-17,20,22,26-27,29,42H,12,18-19,21H2,1-4H3,(H,38,39,40);5-14,16,18,22-24,34H,15,17H2,1-4H3,(H,30,31,32);4-13,15,17,21-23,33H,14,16H2,1-3H3,(H2,29,30,31);2,4,6-8,17-18H,1,3H2,(H2,13,14,15);1H,3-4H2;4*1H4/t26?,27-,29-;22?,23-,24-;21?,22-,23-;6?,7-,8-;;;;;/m1111...../s1.

What are the key properties of (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one?

(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one has a molecular weight of 2484.35 g/mol, XLogP of 17.44, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol;(2R,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;6-[7-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-1,1,1-trifluorohex-5-yn-2-one;(2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[5-iodo-4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-3-ol;methane;1,1,1-trifluorohex-5-yn-2-one is sourced from PubChem (CID 158219724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).