2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane

C96H100BCl5N22O12 — CID 162261248

About 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane

2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane (PubChem CID 162261248) has the molecular formula C96H100BCl5N22O12 and a molecular weight of 1942.07 g/mol. Its IUPAC name is 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
• PubChem CID: 162261248
• Molecular Formula: C96H100BCl5N22O12
• Molecular Weight: 1942.07 g/mol
• Exact Mass: 1938.64
• IUPAC Name: 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cccc(OCc3ccccc3)c2)OC1(C)C.COCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.COCCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(Cl)nc21.COCCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(N3CCOCC3)nc21.COCCn1cnc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2[nH]cnc2n1
• InChI: InChI=1S/C25H27N5O3.C21H19ClN4O2.C19H23BO3.C18H21N5O3.C8H8Cl2N4O.C5H2Cl2N4/c1-31-13-10-30-18-26-23-22(27-25(28-24(23)30)29-11-14-32-15-12-29)20-8-5-9-21(16-20)33-17-19-6-3-2-4-7-19;1-27-11-10-26-14-23-19-18(24-21(22)25-20(19)26)16-8-5-9-17(12-16)28-13-15-6-3-2-4-7-15;1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15;1-25-8-5-23-12-19-16-15(13-3-2-4-14(24)11-13)20-18(21-17(16)23)22-6-9-26-10-7-22;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;6-3-2-4(9-1-8-2)11-5(7)10-3/h2-9,16,18H,10-15,17H2,1H3;2-9,12,14H,10-11,13H2,1H3;5-13H,14H2,1-4H3;2-4,11-12,24H,5-10H2,1H3;4H,2-3H2,1H3;1H,(H,8,9,10,11)
• InChIKey: ZZGZCHKLISSPOI-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 357.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.07
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane (CID 162261248) is 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane is CC1(C)OB(c2cccc(OCc3ccccc3)c2)OC1(C)C.COCCn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.COCCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(Cl)nc21.COCCn1cnc2c(-c3cccc(OCc4ccccc4)c3)nc(N3CCOCC3)nc21.COCCn1cnc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2[nH]cnc2n1.

What is the InChIKey of 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane?

The InChIKey is ZZGZCHKLISSPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C21H19ClN4O2.C19H23BO3.C18H21N5O3.C8H8Cl2N4O.C5H2Cl2N4/c1-31-13-10-30-18-26-23-22(27-25(28-24(23)30)29-11-14-32-15-12-29)20-8-5-9-21(16-20)33-17-19-6-3-2-4-7-19;1-27-11-10-26-14-23-19-18(24-21(22)25-20(19)26)16-8-5-9-17(12-16)28-13-15-6-3-2-4-7-15;1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15;1-25-8-5-23-12-19-16-15(13-3-2-4-14(24)11-13)20-18(21-17(16)23)22-6-9-26-10-7-22;1-15-3-2-14-4-11-5-6(9)12-8(10)13-7(5)14;6-3-2-4(9-1-8-2)11-5(7)10-3/h2-9,16,18H,10-15,17H2,1H3;2-9,12,14H,10-11,13H2,1H3;5-13H,14H2,1-4H3;2-4,11-12,24H,5-10H2,1H3;4H,2-3H2,1H3;1H,(H,8,9,10,11).

What are the key properties of 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane?

2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane has a molecular weight of 1942.07 g/mol, XLogP of 16.61, 27 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purine;2,6-dichloro-9-(2-methoxyethyl)purine;2,6-dichloro-7H-purine;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;4-[9-(2-methoxyethyl)-6-(3-phenylmethoxyphenyl)purin-2-yl]morpholine;4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162261248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).