6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

C101H120N30O5 — CID 159497324

About 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine (PubChem CID 159497324) has the molecular formula C101H120N30O5 and a molecular weight of 1834.28 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
• PubChem CID: 159497324
• Molecular Formula: C101H120N30O5
• Molecular Weight: 1834.28 g/mol
• Exact Mass: 1833.01
• IUPAC Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
• SMILES: CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2nc[nH]c12.c1ccc(C(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4nc[nH]c34)CC2)c2ccccc2)cc1.c1ccc2c(c1)CC(CN1CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4nc[nH]c34)CC1)O2.c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1
• InChI: InChI=1S/C34H38N8O.C29H34N8O2.C21H27N7O.C17H21N7O/c1-3-7-25(8-4-1)30(26-9-5-2-6-10-26)23-41-17-15-28(16-18-41)37-33-31-32(36-24-35-31)39-34(40-33)38-27-11-13-29(14-12-27)42-19-21-43-22-20-42;1-2-4-25-20(3-1)17-24(39-25)18-36-11-9-22(10-12-36)32-28-26-27(31-19-30-26)34-29(35-28)33-21-5-7-23(8-6-21)37-13-15-38-16-14-37;1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28;1-2-18-15-14-16(20-11-19-14)23-17(22-15)21-12-3-5-13(6-4-12)24-7-9-25-10-8-24/h1-14,24,28,30H,15-23H2,(H3,35,36,37,38,39,40);1-8,19,22,24H,9-18H2,(H3,30,31,32,33,34,35);6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27);3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,23)
• InChIKey: LYYGSASDVFHQAO-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 379.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1834.28
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?

The IUPAC name of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine (CID 159497324) is 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine.

What is the SMILES notation for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?

The canonical SMILES for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine is CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2nc[nH]c12.c1ccc(C(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4nc[nH]c34)CC2)c2ccccc2)cc1.c1ccc2c(c1)CC(CN1CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4nc[nH]c34)CC1)O2.c1nc2nc(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCCCC3)c2[nH]1.

What is the InChIKey of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?

The InChIKey is LYYGSASDVFHQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O.C29H34N8O2.C21H27N7O.C17H21N7O/c1-3-7-25(8-4-1)30(26-9-5-2-6-10-26)23-41-17-15-28(16-18-41)37-33-31-32(36-24-35-31)39-34(40-33)38-27-11-13-29(14-12-27)42-19-21-43-22-20-42;1-2-4-25-20(3-1)17-24(39-25)18-36-11-9-22(10-12-36)32-28-26-27(31-19-30-26)34-29(35-28)33-21-5-7-23(8-6-21)37-13-15-38-16-14-37;1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28;1-2-18-15-14-16(20-11-19-14)23-17(22-15)21-12-3-5-13(6-4-12)24-7-9-25-10-8-24/h1-14,24,28,30H,15-23H2,(H3,35,36,37,38,39,40);1-8,19,22,24H,9-18H2,(H3,30,31,32,33,34,35);6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27);3-6,11H,2,7-10H2,1H3,(H3,18,19,20,21,22,23).

What are the key properties of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine?

6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine has a molecular weight of 1834.28 g/mol, XLogP of 15.50, 26 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 159497324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).