2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C60H54Cl5N29O5S2 — CID 157257907

About 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 157257907) has the molecular formula C60H54Cl5N29O5S2 and a molecular weight of 1502.69 g/mol. Its IUPAC name is 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• PubChem CID: 157257907
• Molecular Formula: C60H54Cl5N29O5S2
• Molecular Weight: 1502.69 g/mol
• Exact Mass: 1499.27
• IUPAC Name: 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• SMILES: CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.CNC(=O)c1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.Clc1nc(NCc2ccco2)c2[nH]c(OC3CCC3)nc2n1.Clc1nc(NCc2ccncc2)c2ncsc2n1.O=C1Cc2c(NCc3ccncc3)nc(Cl)nc2N1
• InChI: InChI=1S/C14H14ClN5O2.C12H11ClN8O.C12H10ClN5O.C11H11ClN6OS.C11H8ClN5S/c15-13-18-11(16-7-9-5-2-6-21-9)10-12(19-13)20-14(17-10)22-8-3-1-4-8;1-14-11(22)10-18-7-8(20-12(13)21-9(7)19-10)16-4-6-2-3-15-5-17-6;13-12-17-10(8-5-9(19)16-11(8)18-12)15-6-7-1-3-14-4-2-7;1-2-19-11-15-7-8(14-5-6-13-3-4-20-6)16-10(12)17-9(7)18-11;12-11-16-9(8-10(17-11)18-6-15-8)14-5-7-1-3-13-4-2-7/h2,5-6,8H,1,3-4,7H2,(H2,16,17,18,19,20);2-3,5H,4H2,1H3,(H,14,22)(H2,16,18,19,20,21);1-4H,5-6H2,(H2,15,16,17,18,19);3-4H,2,5H2,1H3,(H2,14,15,16,17,18);1-4,6H,5H2,(H,14,16,17)
• InChIKey: AXCKNLXLQFDTIU-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 442.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1502.69
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The IUPAC name of 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 157257907) is 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

What is the SMILES notation for 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The canonical SMILES for 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCOc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.CNC(=O)c1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.Clc1nc(NCc2ccco2)c2[nH]c(OC3CCC3)nc2n1.Clc1nc(NCc2ccncc2)c2ncsc2n1.O=C1Cc2c(NCc3ccncc3)nc(Cl)nc2N1.

What is the InChIKey of 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The InChIKey is AXCKNLXLQFDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2.C12H11ClN8O.C12H10ClN5O.C11H11ClN6OS.C11H8ClN5S/c15-13-18-11(16-7-9-5-2-6-21-9)10-12(19-13)20-14(17-10)22-8-3-1-4-8;1-14-11(22)10-18-7-8(20-12(13)21-9(7)19-10)16-4-6-2-3-15-5-17-6;13-12-17-10(8-5-9(19)16-11(8)18-12)15-6-7-1-3-14-4-2-7;1-2-19-11-15-7-8(14-5-6-13-3-4-20-6)16-10(12)17-9(7)18-11;12-11-16-9(8-10(17-11)18-6-15-8)14-5-7-1-3-13-4-2-7/h2,5-6,8H,1,3-4,7H2,(H2,16,17,18,19,20);2-3,5H,4H2,1H3,(H,14,22)(H2,16,18,19,20,21);1-4H,5-6H2,(H2,15,16,17,18,19);3-4H,2,5H2,1H3,(H2,14,15,16,17,18);1-4,6H,5H2,(H,14,16,17).

What are the key properties of 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 1502.69 g/mol, XLogP of 10.76, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 157257907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).