2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one

C67H65Cl5F5N31O11S3 — CID 159287317

About 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one

2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one (PubChem CID 159287317) has the molecular formula C67H65Cl5F5N31O11S3 and a molecular weight of 1848.92 g/mol. Its IUPAC name is 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 159287317
• Molecular Formula: C67H65Cl5F5N31O11S3
• Molecular Weight: 1848.92 g/mol
• Exact Mass: 1845.30
• IUPAC Name: 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one
• SMILES: CC(=O)NCCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.FC(F)(F)CCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.FC(F)COc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1.O=C1CCCN1CCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.O=C1OCCN1CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1
• InChI: InChI=1S/C16H17ClN6O3.C14H14ClN7O3S.C13H11ClF3N5O2.C13H14ClN7O2S.C11H9ClF2N6OS/c17-15-20-13(18-9-10-3-2-7-25-10)12-14(21-15)22-16(19-12)26-8-6-23-5-1-4-11(23)24;15-12-19-10(17-7-8-16-1-6-26-8)9-11(20-12)21-13(18-9)24-4-2-22-3-5-25-14(22)23;14-11-20-9(18-6-7-2-1-4-23-7)8-10(21-11)22-12(19-8)24-5-3-13(15,16)17;1-7(22)15-2-4-23-13-18-9-10(17-6-8-16-3-5-24-8)19-12(14)20-11(9)21-13;12-10-18-8(15-1-5-3-22-4-16-5)7-9(19-10)20-11(17-7)21-2-6(13)14/h2-3,7H,1,4-6,8-9H2,(H2,18,19,20,21,22);1,6H,2-5,7H2,(H2,17,18,19,20,21);1-2,4H,3,5-6H2,(H2,18,19,20,21,22);3,5H,2,4,6H2,1H3,(H,15,22)(H2,17,18,19,20,21);3-4,6H,1-2H2,(H2,15,17,18,19,20)
• InChIKey: KZRCJEVOOVAOOL-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 522.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1848.92
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one (CID 159287317) is 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one is CC(=O)NCCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.FC(F)(F)CCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.FC(F)COc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1.O=C1CCCN1CCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.O=C1OCCN1CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.

What is the InChIKey of 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is KZRCJEVOOVAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3.C14H14ClN7O3S.C13H11ClF3N5O2.C13H14ClN7O2S.C11H9ClF2N6OS/c17-15-20-13(18-9-10-3-2-7-25-10)12-14(21-15)22-16(19-12)26-8-6-23-5-1-4-11(23)24;15-12-19-10(17-7-8-16-1-6-26-8)9-11(20-12)21-13(18-9)24-4-2-22-3-5-25-14(22)23;14-11-20-9(18-6-7-2-1-4-23-7)8-10(21-11)22-12(19-8)24-5-3-13(15,16)17;1-7(22)15-2-4-23-13-18-9-10(17-6-8-16-3-5-24-8)19-12(14)20-11(9)21-13;12-10-18-8(15-1-5-3-22-4-16-5)7-9(19-10)20-11(17-7)21-2-6(13)14/h2-3,7H,1,4-6,8-9H2,(H2,18,19,20,21,22);1,6H,2-5,7H2,(H2,17,18,19,20,21);1-2,4H,3,5-6H2,(H2,18,19,20,21,22);3,5H,2,4,6H2,1H3,(H,15,22)(H2,17,18,19,20,21);3-4,6H,1-2H2,(H2,15,17,18,19,20).

What are the key properties of 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one?

2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 1848.92 g/mol, XLogP of 11.97, 33 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159287317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).