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

C107H114BrCl5N24O16 — CID 158390647

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

(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158390647) has the molecular formula C107H114BrCl5N24O16 and a molecular weight of 2249.41 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158390647
• Molecular Formula: C107H114BrCl5N24O16
• Molecular Weight: 2249.41 g/mol
• Exact Mass: 2244.65
• IUPAC Name: (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC[C@H]1O[C@@H](n2cc(C)c3c(N)ncnc32)C[C@@H]1C.Cc1c[nH]c2ncnc(Cl)c12.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c4c(Cl)ncnc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1cn([C@H]2C[C@H](C)[C@@H](CO)O2)c2ncnc(N)c12.Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12.Clc1ncnc2[nH]cc(Br)c12.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C28H26ClN3O5.C21H21ClO5.C14H20N4O.C13H18N4O2.C12H16N4O3.C7H6ClN3.C6H3BrClN3.C6H4ClN3/c1-16-4-8-19(9-5-16)27(33)35-14-22-21(37-28(34)20-10-6-17(2)7-11-20)12-23(36-22)32-13-18(3)24-25(29)30-15-31-26(24)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;1-4-10-8(2)5-11(19-10)18-6-9(3)12-13(15)16-7-17-14(12)18;1-7-3-10(19-9(7)5-18)17-4-8(2)11-12(14)15-6-16-13(11)17;1-6-3-16(9-2-7(18)8(4-17)19-9)12-10(6)11(13)14-5-15-12;1-4-2-9-7-5(4)6(8)10-3-11-7;7-3-1-9-6-4(3)5(8)10-2-11-6;7-5-4-1-2-8-6(4)10-3-9-5/h4-11,13,15,21-23H,12,14H2,1-3H3;3-10,17-19H,11-12H2,1-2H3;6-8,10-11H,4-5H2,1-3H3,(H2,15,16,17);4,6-7,9-10,18H,3,5H2,1-2H3,(H2,14,15,16);3,5,7-9,17-18H,2,4H2,1H3,(H2,13,14,15);2-3H,1H3,(H,9,10,11);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t21-,22+,23+;17-,18+,19-;8-,10+,11+;7-,9+,10+;7-,8+,9+;;;/m00000.../s1
• InChIKey: GWXPQGRCYCWBDY-VGFRLWRXSA-N
• XLogP: 19.18
• TPSA: 537.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.41
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158390647) is (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine is CC[C@H]1O[C@@H](n2cc(C)c3c(N)ncnc32)C[C@@H]1C.Cc1c[nH]c2ncnc(Cl)c12.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c4c(Cl)ncnc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1cn([C@H]2C[C@H](C)[C@@H](CO)O2)c2ncnc(N)c12.Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c2ncnc(N)c12.Clc1ncnc2[nH]cc(Br)c12.Clc1ncnc2[nH]ccc12.

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

The InChIKey is GWXPQGRCYCWBDY-VGFRLWRXSA-N. The full InChI is InChI=1S/C28H26ClN3O5.C21H21ClO5.C14H20N4O.C13H18N4O2.C12H16N4O3.C7H6ClN3.C6H3BrClN3.C6H4ClN3/c1-16-4-8-19(9-5-16)27(33)35-14-22-21(37-28(34)20-10-6-17(2)7-11-20)12-23(36-22)32-13-18(3)24-25(29)30-15-31-26(24)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;1-4-10-8(2)5-11(19-10)18-6-9(3)12-13(15)16-7-17-14(12)18;1-7-3-10(19-9(7)5-18)17-4-8(2)11-12(14)15-6-16-13(11)17;1-6-3-16(9-2-7(18)8(4-17)19-9)12-10(6)11(13)14-5-15-12;1-4-2-9-7-5(4)6(8)10-3-11-7;7-3-1-9-6-4(3)5(8)10-2-11-6;7-5-4-1-2-8-6(4)10-3-9-5/h4-11,13,15,21-23H,12,14H2,1-3H3;3-10,17-19H,11-12H2,1-2H3;6-8,10-11H,4-5H2,1-3H3,(H2,15,16,17);4,6-7,9-10,18H,3,5H2,1-2H3,(H2,14,15,16);3,5,7-9,17-18H,2,4H2,1H3,(H2,13,14,15);2-3H,1H3,(H,9,10,11);1-2H,(H,9,10,11);1-3H,(H,8,9,10)/t21-,22+,23+;17-,18+,19-;8-,10+,11+;7-,9+,10+;7-,8+,9+;;;/m00000.../s1.

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

(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2249.41 g/mol, XLogP of 19.18, 17 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-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-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158390647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).