2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine

C62H60Cl5F8N29O7S4 — CID 161163561

About 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine

2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine (PubChem CID 161163561) has the molecular formula C62H60Cl5F8N29O7S4 and a molecular weight of 1780.87 g/mol. Its IUPAC name is 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine.

Molecular Properties

• Compound Name: 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine
• PubChem CID: 161163561
• Molecular Formula: C62H60Cl5F8N29O7S4
• Molecular Weight: 1780.87 g/mol
• Exact Mass: 1777.24
• IUPAC Name: 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine
• SMILES: CC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CCCOc1nc2nc(Cl)nc(N(CCO)Cc3nccs3)c2[nH]1.CCCOc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1.FC(F)(F)CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1
• InChI: InChI=1S/C14H17ClN6O2S.C13H12ClF2N5O2.C12H10ClF3N6OS.C12H13ClN6OS.C11H8ClF3N6OS/c1-2-6-23-14-17-10-11(19-14)18-13(15)20-12(10)21(4-5-22)8-9-16-3-7-24-9;1-13(15,16)6-23-12-18-8-9(17-5-7-3-2-4-22-7)19-11(14)20-10(8)21-12;13-10-20-8(18-5-6-17-2-4-24-6)7-9(21-10)22-11(19-7)23-3-1-12(14,15)16;1-2-3-20-12-16-8-9(14-4-7-5-21-6-15-7)17-11(13)18-10(8)19-12;12-9-19-7(16-1-5-2-23-4-17-5)6-8(20-9)21-10(18-6)22-3-11(13,14)15/h3,7,22H,2,4-6,8H2,1H3,(H,17,18,19,20);2-4H,5-6H2,1H3,(H2,17,18,19,20,21);2,4H,1,3,5H2,(H2,18,19,20,21,22);5-6H,2-4H2,1H3,(H2,14,16,17,18,19);2,4H,1,3H2,(H2,16,18,19,20,21)
• InChIKey: UQFSVKVLQHRKLL-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 454.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1780.87
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine?

The IUPAC name of 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine (CID 161163561) is 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine.

What is the SMILES notation for 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine?

The canonical SMILES for 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine is CC(F)(F)COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.CCCOc1nc2nc(Cl)nc(N(CCO)Cc3nccs3)c2[nH]1.CCCOc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1.FC(F)(F)CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3cscn3)c2[nH]1.

What is the InChIKey of 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine?

The InChIKey is UQFSVKVLQHRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2S.C13H12ClF2N5O2.C12H10ClF3N6OS.C12H13ClN6OS.C11H8ClF3N6OS/c1-2-6-23-14-17-10-11(19-14)18-13(15)20-12(10)21(4-5-22)8-9-16-3-7-24-9;1-13(15,16)6-23-12-18-8-9(17-5-7-3-2-4-22-7)19-11(14)20-10(8)21-12;13-10-20-8(18-5-6-17-2-4-24-6)7-9(21-10)22-11(19-7)23-3-1-12(14,15)16;1-2-3-20-12-16-8-9(14-4-7-5-21-6-15-7)17-11(13)18-10(8)19-12;12-9-19-7(16-1-5-2-23-4-17-5)6-8(20-9)21-10(18-6)22-3-11(13,14)15/h3,7,22H,2,4-6,8H2,1H3,(H,17,18,19,20);2-4H,5-6H2,1H3,(H2,17,18,19,20,21);2,4H,1,3,5H2,(H2,18,19,20,21,22);5-6H,2-4H2,1H3,(H2,14,16,17,18,19);2,4H,1,3H2,(H2,16,18,19,20,21).

What are the key properties of 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine?

2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine has a molecular weight of 1780.87 g/mol, XLogP of 14.78, 31 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine is sourced from PubChem (CID 161163561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).