6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine

C101H128N30O5 — CID 159894496

About 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine (PubChem CID 159894496) has the molecular formula C101H128N30O5 and a molecular weight of 1842.34 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine
• PubChem CID: 159894496
• Molecular Formula: C101H128N30O5
• Molecular Weight: 1842.34 g/mol
• Exact Mass: 1841.07
• IUPAC Name: 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine
• SMILES: CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1NCN2.c1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCCC3)n1)NCN2.c1ccc(C(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3NCN4)CC2)c2ccccc2)cc1.c1ccc2c(c1)CC(CN1CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3NCN4)CC1)O2
• InChI: InChI=1S/C34H40N8O.C29H36N8O2.C21H29N7O.C17H23N7O/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/h1-14,28,30,35H,15-24H2,(H3,36,37,38,39,40);1-8,22,24,30H,9-19H2,(H3,31,32,33,34,35);6-9,15,22H,1-5,10-14H2,(H3,23,24,25,26,27);3-6,19H,2,7-11H2,1H3,(H3,18,20,21,22,23)
• InChIKey: NVEBNPCNNQAENU-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 361.19 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.34
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	35

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)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine?

The IUPAC name of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine (CID 159894496) is 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine.

What is the SMILES notation for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine?

The canonical SMILES for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine is CCNc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1NCN2.c1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCCC3)n1)NCN2.c1ccc(C(CN2CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3NCN4)CC2)c2ccccc2)cc1.c1ccc2c(c1)CC(CN1CCC(Nc3nc(Nc4ccc(N5CCOCC5)cc4)nc4c3NCN4)CC1)O2.

What is the InChIKey of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine?

The InChIKey is NVEBNPCNNQAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N8O.C29H36N8O2.C21H29N7O.C17H23N7O/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/h1-14,28,30,35H,15-24H2,(H3,36,37,38,39,40);1-8,22,24,30H,9-19H2,(H3,31,32,33,34,35);6-9,15,22H,1-5,10-14H2,(H3,23,24,25,26,27);3-6,19H,2,7-11H2,1H3,(H3,18,20,21,22,23).

What are the key properties of 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine?

6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine has a molecular weight of 1842.34 g/mol, XLogP of 15.17, 26 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-[1-(2,2-diphenylethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine;6-N-ethyl-2-N-(4-morpholin-4-ylphenyl)-8,9-dihydro-7H-purine-2,6-diamine is sourced from PubChem (CID 159894496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).