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

C117H113Cl2F4N35O19 — CID 159332533

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

(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159332533) has the molecular formula C117H113Cl2F4N35O19 and a molecular weight of 2460.31 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 159332533
• Molecular Formula: C117H113Cl2F4N35O19
• Molecular Weight: 2460.31 g/mol
• Exact Mass: 2457.83
• IUPAC Name: (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(N)nc(F)nc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(N=[N+]=[N-])nc(F)nc43)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.Nc1nc(Cl)c2cc[nH]c2n1.Nc1nc(F)nc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1.[N-]=[N+]=Nc1nc(F)nc2[nH]ccc12.[N-]=[N+]=Nc1nc(N)nc2[nH]ccc12
• InChI: InChI=1S/C27H23FN6O5.C27H25FN4O5.C21H21ClO5.C13H18N4O.C11H13FN4O3.C6H5ClN4.C6H3FN6.C6H5N7/c1-15-3-7-17(8-4-15)25(35)37-14-21-20(39-26(36)18-9-5-16(2)6-10-18)13-22(38-21)34-12-11-19-23(32-33-29)30-27(28)31-24(19)34;1-15-3-7-17(8-4-15)25(33)35-14-21-20(37-26(34)18-9-5-16(2)6-10-18)13-22(36-21)32-12-11-19-23(29)30-27(28)31-24(19)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;1-3-10-8(2)6-11(18-10)17-5-4-9-12(14)15-7-16-13(9)17;12-11-14-9(13)5-1-2-16(10(5)15-11)8-3-6(18)7(4-17)19-8;7-4-3-1-2-9-5(3)11-6(8)10-4;2*7-6-10-4-3(1-2-9-4)5(11-6)12-13-8/h3-12,20-22H,13-14H2,1-2H3;3-12,20-22H,13-14H2,1-2H3,(H2,29,30,31);3-10,17-19H,11-12H2,1-2H3;4-5,7-8,10-11H,3,6H2,1-2H3,(H2,14,15,16);1-2,6-8,17-18H,3-4H2,(H2,13,14,15);1-2H,(H3,8,9,10,11);1-2H,(H,9,10,11);1-2H,(H3,7,9,10,11)/t2*20-,21+,22+;17-,18+,19-;8-,10+,11+;6-,7+,8+;;;/m00000.../s1
• InChIKey: LFDCYFUMXLPXTJ-HLVTVHBRSA-N
• XLogP: 20.53
• TPSA: 768.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.31
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 159332533) is (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;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.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(N)nc(F)nc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc4c(N=[N+]=[N-])nc(F)nc43)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.Nc1nc(Cl)c2cc[nH]c2n1.Nc1nc(F)nc2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1.[N-]=[N+]=Nc1nc(F)nc2[nH]ccc12.[N-]=[N+]=Nc1nc(N)nc2[nH]ccc12.

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

The InChIKey is LFDCYFUMXLPXTJ-HLVTVHBRSA-N. The full InChI is InChI=1S/C27H23FN6O5.C27H25FN4O5.C21H21ClO5.C13H18N4O.C11H13FN4O3.C6H5ClN4.C6H3FN6.C6H5N7/c1-15-3-7-17(8-4-15)25(35)37-14-21-20(39-26(36)18-9-5-16(2)6-10-18)13-22(38-21)34-12-11-19-23(32-33-29)30-27(28)31-24(19)34;1-15-3-7-17(8-4-15)25(33)35-14-21-20(37-26(34)18-9-5-16(2)6-10-18)13-22(36-21)32-12-11-19-23(29)30-27(28)31-24(19)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;1-3-10-8(2)6-11(18-10)17-5-4-9-12(14)15-7-16-13(9)17;12-11-14-9(13)5-1-2-16(10(5)15-11)8-3-6(18)7(4-17)19-8;7-4-3-1-2-9-5(3)11-6(8)10-4;2*7-6-10-4-3(1-2-9-4)5(11-6)12-13-8/h3-12,20-22H,13-14H2,1-2H3;3-12,20-22H,13-14H2,1-2H3,(H2,29,30,31);3-10,17-19H,11-12H2,1-2H3;4-5,7-8,10-11H,3,6H2,1-2H3,(H2,14,15,16);1-2,6-8,17-18H,3-4H2,(H2,13,14,15);1-2H,(H3,8,9,10,11);1-2H,(H,9,10,11);1-2H,(H3,7,9,10,11)/t2*20-,21+,22+;17-,18+,19-;8-,10+,11+;6-,7+,8+;;;/m00000.../s1.

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

(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 2460.31 g/mol, XLogP of 20.53, 24 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol;[(2R,3S,5R)-5-(4-amino-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine;[(2R,3S,5R)-5-(4-azido-2-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-azido-7H-pyrrolo[2,3-d]pyrimidin-2-amine;[(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine;7-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).