8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine

C71H77Cl5N28O7S — CID 158670424

About 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine

8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine (PubChem CID 158670424) has the molecular formula C71H77Cl5N28O7S and a molecular weight of 1643.92 g/mol. Its IUPAC name is 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine.

Molecular Properties

• Compound Name: 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine
• PubChem CID: 158670424
• Molecular Formula: C71H77Cl5N28O7S
• Molecular Weight: 1643.92 g/mol
• Exact Mass: 1640.47
• IUPAC Name: 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine
• SMILES: CCCCOc1nc2nc(Cl)nc(NCc3ccncc3)c2[nH]1.CCCOc1nc2c(NCc3ccco3)nc(Cl)nc2n1CCO.Clc1nc(NCc2ccco2)c2[nH]c(OCC3CCC3)nc2n1.Clc1nc(NCc2ccncc2)c2[nH]c(OCC3CCC3)nc2n1.Cn1cnc2nc(Cl)nc(NCc3nccs3)c21
• InChI: InChI=1S/C16H17ClN6O.C15H17ClN6O.C15H18ClN5O3.C15H16ClN5O2.C10H9ClN6S/c17-15-21-13(19-8-10-4-6-18-7-5-10)12-14(22-15)23-16(20-12)24-9-11-2-1-3-11;1-2-3-8-23-15-19-11-12(20-14(16)21-13(11)22-15)18-9-10-4-6-17-7-5-10;1-2-7-24-15-18-11-12(17-9-10-4-3-8-23-10)19-14(16)20-13(11)21(15)5-6-22;16-14-19-12(17-7-10-5-2-6-22-10)11-13(20-14)21-15(18-11)23-8-9-3-1-4-9;1-17-5-14-9-7(17)8(15-10(11)16-9)13-4-6-12-2-3-18-6/h4-7,11H,1-3,8-9H2,(H2,19,20,21,22,23);4-7H,2-3,8-9H2,1H3,(H2,18,19,20,21,22);3-4,8,22H,2,5-7,9H2,1H3,(H,17,19,20);2,5-6,9H,1,3-4,7-8H2,(H2,17,18,19,20,21);2-3,5H,4H2,1H3,(H,13,15,16)
• InChIKey: IDWOJQYJOYCOKJ-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 432.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.92
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine?

The IUPAC name of 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine (CID 158670424) is 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine.

What is the SMILES notation for 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine?

The canonical SMILES for 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine is CCCCOc1nc2nc(Cl)nc(NCc3ccncc3)c2[nH]1.CCCOc1nc2c(NCc3ccco3)nc(Cl)nc2n1CCO.Clc1nc(NCc2ccco2)c2[nH]c(OCC3CCC3)nc2n1.Clc1nc(NCc2ccncc2)c2[nH]c(OCC3CCC3)nc2n1.Cn1cnc2nc(Cl)nc(NCc3nccs3)c21.

What is the InChIKey of 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine?

The InChIKey is IDWOJQYJOYCOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O.C15H17ClN6O.C15H18ClN5O3.C15H16ClN5O2.C10H9ClN6S/c17-15-21-13(19-8-10-4-6-18-7-5-10)12-14(22-15)23-16(20-12)24-9-11-2-1-3-11;1-2-3-8-23-15-19-11-12(20-14(16)21-13(11)22-15)18-9-10-4-6-17-7-5-10;1-2-7-24-15-18-11-12(17-9-10-4-3-8-23-10)19-14(16)20-13(11)21(15)5-6-22;16-14-19-12(17-7-10-5-2-6-22-10)11-13(20-14)21-15(18-11)23-8-9-3-1-4-9;1-17-5-14-9-7(17)8(15-10(11)16-9)13-4-6-12-2-3-18-6/h4-7,11H,1-3,8-9H2,(H2,19,20,21,22,23);4-7H,2-3,8-9H2,1H3,(H2,18,19,20,21,22);3-4,8,22H,2,5-7,9H2,1H3,(H,17,19,20);2,5-6,9H,1,3-4,7-8H2,(H2,17,18,19,20,21);2-3,5H,4H2,1H3,(H,13,15,16).

What are the key properties of 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine?

8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine has a molecular weight of 1643.92 g/mol, XLogP of 14.33, 30 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 8-butoxy-2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclobutylmethoxy)-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-propoxypurin-9-yl]ethanol;2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)purin-6-amine is sourced from PubChem (CID 158670424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).