2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine

C63H62Cl5N27O7S — CID 162071701

About 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine

2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 162071701) has the molecular formula C63H62Cl5N27O7S and a molecular weight of 1518.70 g/mol. Its IUPAC name is 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine
• PubChem CID: 162071701
• Molecular Formula: C63H62Cl5N27O7S
• Molecular Weight: 1518.70 g/mol
• Exact Mass: 1515.35
• IUPAC Name: 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine
• SMILES: COCCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.COc1nc2c(NCc3ccco3)nc(Cl)nc2n1CCO.Clc1cc(NCc2ccncn2)n2ccnc2n1.Clc1cc(NCc2nccs2)n2ccnc2n1.Clc1nc(NCc2ccncc2)c2[nH]c(OC3CCC3)nc2n1
• InChI: InChI=1S/C15H15ClN6O.C14H16ClN5O3.C13H14ClN5O3.C11H9ClN6.C10H8ClN5S/c16-14-20-12(18-8-9-4-6-17-7-5-9)11-13(21-14)22-15(19-11)23-10-2-1-3-10;1-21-5-3-7-23-14-17-10-11(16-8-9-4-2-6-22-9)18-13(15)19-12(10)20-14;1-21-13-16-9-10(15-7-8-3-2-6-22-8)17-12(14)18-11(9)19(13)4-5-20;12-9-5-10(18-4-3-14-11(18)17-9)15-6-8-1-2-13-7-16-8;11-7-5-8(14-6-9-12-2-4-17-9)16-3-1-13-10(16)15-7/h4-7,10H,1-3,8H2,(H2,18,19,20,21,22);2,4,6H,3,5,7-8H2,1H3,(H2,16,17,18,19,20);2-3,6,20H,4-5,7H2,1H3,(H,15,17,18);1-5,7,15H,6H2;1-5,14H,6H2
• InChIKey: ZBEDGQWHNRLYMW-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 408.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.70
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	8
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 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine?

The IUPAC name of 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine (CID 162071701) is 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine.

What is the SMILES notation for 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine?

The canonical SMILES for 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine is COCCCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.COc1nc2c(NCc3ccco3)nc(Cl)nc2n1CCO.Clc1cc(NCc2ccncn2)n2ccnc2n1.Clc1cc(NCc2nccs2)n2ccnc2n1.Clc1nc(NCc2ccncc2)c2[nH]c(OC3CCC3)nc2n1.

What is the InChIKey of 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine?

The InChIKey is ZBEDGQWHNRLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O.C14H16ClN5O3.C13H14ClN5O3.C11H9ClN6.C10H8ClN5S/c16-14-20-12(18-8-9-4-6-17-7-5-9)11-13(21-14)22-15(19-11)23-10-2-1-3-10;1-21-5-3-7-23-14-17-10-11(16-8-9-4-2-6-22-9)18-13(15)19-12(10)20-14;1-21-13-16-9-10(15-7-8-3-2-6-22-8)17-12(14)18-11(9)19(13)4-5-20;12-9-5-10(18-4-3-14-11(18)17-9)15-6-8-1-2-13-7-16-8;11-7-5-8(14-6-9-12-2-4-17-9)16-3-1-13-10(16)15-7/h4-7,10H,1-3,8H2,(H2,18,19,20,21,22);2,4,6H,3,5,7-8H2,1H3,(H2,16,17,18,19,20);2-3,6,20H,4-5,7H2,1H3,(H,15,17,18);1-5,7,15H,6H2;1-5,14H,6H2.

What are the key properties of 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine?

2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 1518.70 g/mol, XLogP of 11.49, 25 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-cyclobutyloxy-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-[2-chloro-6-(furan-2-ylmethylamino)-8-methoxypurin-9-yl]ethanol;2-chloro-N-(furan-2-ylmethyl)-8-(3-methoxypropoxy)-7H-purin-6-amine;7-chloro-N-(pyrimidin-4-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine;7-chloro-N-(1,3-thiazol-2-ylmethyl)imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 162071701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).