(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C96H107Cl2N19O18 — CID 159689850

About (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159689850) has the molecular formula C96H107Cl2N19O18 and a molecular weight of 1885.93 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 159689850
• Molecular Formula: C96H107Cl2N19O18
• Molecular Weight: 1885.93 g/mol
• Exact Mass: 1883.74
• IUPAC Name: (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)C[C@@H]1C.C[C@H]1C[C@H](n2ccc3c(N)ncnc32)O[C@@H]1C=O.C[C@H]1C[C@H](n2ccc3c(N)ncnc32)O[C@@H]1CO.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(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.Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1
• InChI: InChI=1S/C27H24ClN3O5.C21H21ClO5.C13H18N4O.C12H16N4O2.C12H14N4O2.C11H14N4O3/c1-16-3-7-18(8-4-16)26(32)34-14-22-21(36-27(33)19-9-5-17(2)6-10-19)13-23(35-22)31-12-11-20-24(28)29-15-30-25(20)31;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;1-3-10-8(2)6-11(18-10)17-5-4-9-12(14)15-7-16-13(9)17;2*1-7-4-10(18-9(7)5-17)16-3-2-8-11(13)14-6-15-12(8)16;12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h3-12,15,21-23H,13-14H2,1-2H3;3-10,17-19H,11-12H2,1-2H3;4-5,7-8,10-11H,3,6H2,1-2H3,(H2,14,15,16);2-3,6-7,9-10,17H,4-5H2,1H3,(H2,13,14,15);2-3,5-7,9-10H,4H2,1H3,(H2,13,14,15);1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t21-,22+,23+;17-,18+,19-;8-,10+,11+;2*7-,9+,10+;7-,8+,9+/m000000/s1
• InChIKey: MWGPQNJURKUMNR-RSVVRQMOSA-N
• XLogP: 13.18
• TPSA: 495.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.93
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 159689850) is (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is CC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)C[C@@H]1C.C[C@H]1C[C@H](n2ccc3c(N)ncnc32)O[C@@H]1C=O.C[C@H]1C[C@H](n2ccc3c(N)ncnc32)O[C@@H]1CO.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(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.Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1.

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

The InChIKey is MWGPQNJURKUMNR-RSVVRQMOSA-N. The full InChI is InChI=1S/C27H24ClN3O5.C21H21ClO5.C13H18N4O.C12H16N4O2.C12H14N4O2.C11H14N4O3/c1-16-3-7-18(8-4-16)26(32)34-14-22-21(36-27(33)19-9-5-17(2)6-10-19)13-23(35-22)31-12-11-20-24(28)29-15-30-25(20)31;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;1-3-10-8(2)6-11(18-10)17-5-4-9-12(14)15-7-16-13(9)17;2*1-7-4-10(18-9(7)5-17)16-3-2-8-11(13)14-6-15-12(8)16;12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(17)8(4-16)18-9/h3-12,15,21-23H,13-14H2,1-2H3;3-10,17-19H,11-12H2,1-2H3;4-5,7-8,10-11H,3,6H2,1-2H3,(H2,14,15,16);2-3,6-7,9-10,17H,4-5H2,1H3,(H2,13,14,15);2-3,5-7,9-10H,4H2,1H3,(H2,13,14,15);1-2,5,7-9,16-17H,3-4H2,(H2,12,13,14)/t21-,22+,23+;17-,18+,19-;8-,10+,11+;2*7-,9+,10+;7-,8+,9+/m000000/s1.

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

(2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1885.93 g/mol, XLogP of 13.18, 19 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolane-2-carbaldehyde;[(2S,3S,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methyloxolan-2-yl]methanol;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;[(2R,3S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159689850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).