2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine

C₂₈H₃₄N₈O₂ — CID 117079543

About 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine

2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (PubChem CID 117079543) has the molecular formula C₂₈H₃₄N₈O₂ and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
• PubChem CID: 117079543
• Molecular Formula: C₂₈H₃₄N₈O₂
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.28
• IUPAC Name: 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
• SMILES: CC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)nc21
• InChI: InChI=1S/C28H34N8O2/c1-20(2)36-19-29-25-26(30-21-3-7-23(8-4-21)34-11-15-37-16-12-34)32-28(33-27(25)36)31-22-5-9-24(10-6-22)35-13-17-38-18-14-35/h3-10,19-20H,11-18H2,1-2H3,(H2,30,31,32,33)
• InChIKey: RFRJCZYARDICPX-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 92.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?

The IUPAC name of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine (CID 117079543) is 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine.

What is the SMILES notation for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?

The canonical SMILES for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is CC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc(N4CCOCC4)cc3)nc21.

What is the InChIKey of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?

The InChIKey is RFRJCZYARDICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-20(2)36-19-29-25-26(30-21-3-7-23(8-4-21)34-11-15-37-16-12-34)32-28(33-27(25)36)31-22-5-9-24(10-6-22)35-13-17-38-18-14-35/h3-10,19-20H,11-18H2,1-2H3,(H2,30,31,32,33).

What are the key properties of 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine?

2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine has a molecular weight of 514.63 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine is sourced from PubChem (CID 117079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117079543 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.