8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

C64H58Cl5F3N32O5S3 — CID 158402992

About 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (PubChem CID 158402992) has the molecular formula C64H58Cl5F3N32O5S3 and a molecular weight of 1685.85 g/mol. Its IUPAC name is 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

• Compound Name: 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
• PubChem CID: 158402992
• Molecular Formula: C64H58Cl5F3N32O5S3
• Molecular Weight: 1685.85 g/mol
• Exact Mass: 1682.28
• IUPAC Name: 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
• SMILES: Clc1cc(NCc2ccncn2)n2nccc2n1.Clc1nc(NCc2ccco2)c2[nH]c(OC3CNC3)nc2n1.Clc1nc(NCc2nccs2)c2[nH]c(OCC3CCCC3)nc2n1.Clc1nc(NCc2nccs2)c2[nH]c(OCc3nccs3)nc2n1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1
• InChI: InChI=1S/C15H17ClN6OS.C13H10ClN7OS2.C13H13ClN6O2.C12H9ClF3N7O.C11H9ClN6/c16-14-20-12(18-7-10-17-5-6-24-10)11-13(21-14)22-15(19-11)23-8-9-3-1-2-4-9;14-12-19-10(17-5-7-15-1-3-23-7)9-11(20-12)21-13(18-9)22-6-8-16-2-4-24-8;14-12-18-10(16-6-7-2-1-3-21-7)9-11(19-12)20-13(17-9)22-8-4-15-5-8;13-10-21-8(18-3-6-1-2-17-5-19-6)7-9(22-10)23-11(20-7)24-4-12(14,15)16;12-9-5-11(18-10(17-9)2-4-16-18)14-6-8-1-3-13-7-15-8/h5-6,9H,1-4,7-8H2,(H2,18,19,20,21,22);1-4H,5-6H2,(H2,17,18,19,20,21);1-3,8,15H,4-6H2,(H2,16,17,18,19,20);1-2,5H,3-4H2,(H2,18,20,21,22,23);1-5,7,14H,6H2
• InChIKey: GYIGVPWJNZBOGK-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 460.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1685.85
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The IUPAC name of 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (CID 158402992) is 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

What is the SMILES notation for 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The canonical SMILES for 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is Clc1cc(NCc2ccncn2)n2nccc2n1.Clc1nc(NCc2ccco2)c2[nH]c(OC3CNC3)nc2n1.Clc1nc(NCc2nccs2)c2[nH]c(OCC3CCCC3)nc2n1.Clc1nc(NCc2nccs2)c2[nH]c(OCc3nccs3)nc2n1.FC(F)(F)COc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.

What is the InChIKey of 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The InChIKey is GYIGVPWJNZBOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6OS.C13H10ClN7OS2.C13H13ClN6O2.C12H9ClF3N7O.C11H9ClN6/c16-14-20-12(18-7-10-17-5-6-24-10)11-13(21-14)22-15(19-11)23-8-9-3-1-2-4-9;14-12-19-10(17-5-7-15-1-3-23-7)9-11(20-12)21-13(18-9)22-6-8-16-2-4-24-8;14-12-18-10(16-6-7-2-1-3-21-7)9-11(19-12)20-13(17-9)22-8-4-15-5-8;13-10-21-8(18-3-6-1-2-17-5-19-6)7-9(22-10)23-11(20-7)24-4-12(14,15)16;12-9-5-11(18-10(17-9)2-4-16-18)14-6-8-1-3-13-7-15-8/h5-6,9H,1-4,7-8H2,(H2,18,19,20,21,22);1-4H,5-6H2,(H2,17,18,19,20,21);1-3,8,15H,4-6H2,(H2,16,17,18,19,20);1-2,5H,3-4H2,(H2,18,20,21,22,23);1-5,7,14H,6H2.

What are the key properties of 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 1685.85 g/mol, XLogP of 12.45, 25 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 158402992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).