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

C26H34N8O5 — CID 170394576

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

1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone (PubChem CID 170394576) has the molecular formula C26H34N8O5 and a molecular weight of 538.61 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone.

Molecular Properties

• Compound Name: 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone
• PubChem CID: 170394576
• Molecular Formula: C26H34N8O5
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.27
• IUPAC Name: 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone
• SMILES: O=C(COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1)N1CCOCC1
• InChI: InChI=1S/C26H34N8O5/c35-24(33-9-13-37-14-10-33)18-38-21-16-28-25(29-17-21)30-19-1-3-20(4-2-19)39-26-31-23(32-7-11-36-12-8-32)15-22-27-5-6-34(22)26/h5-6,15-17,19-20H,1-4,7-14,18H2,(H,28,29,30)
• InChIKey: OFYCXRURFIZXRG-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 128.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone (CID 170394576) is 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone.

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

The canonical SMILES for 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone is O=C(COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1)N1CCOCC1.

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

The InChIKey is OFYCXRURFIZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O5/c35-24(33-9-13-37-14-10-33)18-38-21-16-28-25(29-17-21)30-19-1-3-20(4-2-19)39-26-31-23(32-7-11-36-12-8-32)15-22-27-5-6-34(22)26/h5-6,15-17,19-20H,1-4,7-14,18H2,(H,28,29,30).

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

1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone has a molecular weight of 538.61 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone is sourced from PubChem (CID 170394576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).