2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde

C22H27N7O4 — CID 175960820

About 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde

2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde (PubChem CID 175960820) has the molecular formula C22H27N7O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde.

Molecular Properties

• Compound Name: 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde
• PubChem CID: 175960820
• Molecular Formula: C22H27N7O4
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.21
• IUPAC Name: 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde
• SMILES: O=CCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1
• InChI: InChI=1S/C22H27N7O4/c30-9-12-32-18-14-24-21(25-15-18)26-16-1-3-17(4-2-16)33-22-27-20(28-7-10-31-11-8-28)13-19-23-5-6-29(19)22/h5-6,9,13-17H,1-4,7-8,10-12H2,(H,24,25,26)
• InChIKey: ZFGHCKDPNMYKBK-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 116.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde?

The IUPAC name of 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde (CID 175960820) is 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde.

What is the SMILES notation for 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde?

The canonical SMILES for 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde is O=CCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1.

What is the InChIKey of 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde?

The InChIKey is ZFGHCKDPNMYKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O4/c30-9-12-32-18-14-24-21(25-15-18)26-16-1-3-17(4-2-16)33-22-27-20(28-7-10-31-11-8-28)13-19-23-5-6-29(19)22/h5-6,9,13-17H,1-4,7-8,10-12H2,(H,24,25,26).

What are the key properties of 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde?

2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde has a molecular weight of 453.50 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetaldehyde is sourced from PubChem (CID 175960820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).