(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine

C96H96Cl4I5N21O16 — CID 158646281

About (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine

(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158646281) has the molecular formula C96H96Cl4I5N21O16 and a molecular weight of 2576.29 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158646281
• Molecular Formula: C96H96Cl4I5N21O16
• Molecular Weight: 2576.29 g/mol
• Exact Mass: 2573.13
• IUPAC Name: (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)C[C@@H]1C.C[C@H]1C[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO.Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@H](n3cc(I)c4c(Cl)ncnc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Clc1ncnc2[nH]cc(I)c12.Clc1ncnc2[nH]ccc12.Nc1ncnc2c1c(I)cn2[C@H]1C[C@H](O)[C@@H](CO)O1
• InChI: InChI=1S/C27H23ClIN3O5.C21H21ClO5.C13H17IN4O.C12H15IN4O2.C11H13IN4O3.C6H3ClIN3.C6H4ClN3/c1-15-3-7-17(8-4-15)26(33)35-13-21-20(37-27(34)18-9-5-16(2)6-10-18)11-22(36-21)32-12-19(29)23-24(28)30-14-31-25(23)32;1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16;1-3-9-7(2)4-10(19-9)18-5-8(14)11-12(15)16-6-17-13(11)18;1-6-2-9(19-8(6)4-18)17-3-7(13)10-11(14)15-5-16-12(10)17;12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11;7-5-4-3(8)1-9-6(4)11-2-10-5;7-5-4-1-2-8-6(4)10-3-9-5/h3-10,12,14,20-22H,11,13H2,1-2H3;3-10,17-19H,11-12H2,1-2H3;5-7,9-10H,3-4H2,1-2H3,(H2,15,16,17);3,5-6,8-9,18H,2,4H2,1H3,(H2,14,15,16);2,4,6-8,17-18H,1,3H2,(H2,13,14,15);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t20-,21+,22-;17-,18+,19-;7-,9+,10+;6-,8+,9+;6-,7+,8+;;/m00000../s1
• InChIKey: IAZVWMOEBKJNHP-YTOMBNSRSA-N
• XLogP: 18.29
• TPSA: 496.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2576.29
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine (CID 158646281) is (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine is CC[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)C[C@@H]1C.C[C@H]1C[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO.Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@H](n3cc(I)c4c(Cl)ncnc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Clc1ncnc2[nH]cc(I)c12.Clc1ncnc2[nH]ccc12.Nc1ncnc2c1c(I)cn2[C@H]1C[C@H](O)[C@@H](CO)O1.

What is the InChIKey of (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is IAZVWMOEBKJNHP-YTOMBNSRSA-N. The full InChI is InChI=1S/C27H23ClIN3O5.C21H21ClO5.C13H17IN4O.C12H15IN4O2.C11H13IN4O3.C6H3ClIN3.C6H4ClN3/c1-15-3-7-17(8-4-15)26(33)35-13-21-20(37-27(34)18-9-5-16(2)6-10-18)11-22(36-21)32-12-19(29)23-24(28)30-14-31-25(23)32;1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16;1-3-9-7(2)4-10(19-9)18-5-8(14)11-12(15)16-6-17-13(11)18;1-6-2-9(19-8(6)4-18)17-3-7(13)10-11(14)15-5-16-12(10)17;12-5-2-16(8-1-6(18)7(3-17)19-8)11-9(5)10(13)14-4-15-11;7-5-4-3(8)1-9-6(4)11-2-10-5;7-5-4-1-2-8-6(4)10-3-9-5/h3-10,12,14,20-22H,11,13H2,1-2H3;3-10,17-19H,11-12H2,1-2H3;5-7,9-10H,3-4H2,1-2H3,(H2,15,16,17);3,5-6,8-9,18H,2,4H2,1H3,(H2,14,15,16);2,4,6-8,17-18H,1,3H2,(H2,13,14,15);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t20-,21+,22-;17-,18+,19-;7-,9+,10+;6-,8+,9+;6-,7+,8+;;/m00000../s1.

What are the key properties of (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine?

(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2576.29 g/mol, XLogP of 18.29, 17 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5S)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158646281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).