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

C25H32N8O4 — CID 170394578

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

1-(azetidin-1-yl)-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone (PubChem CID 170394578) has the molecular formula C25H32N8O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-(azetidin-1-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-(azetidin-1-yl)-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone
• PubChem CID: 170394578
• Molecular Formula: C25H32N8O4
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.25
• IUPAC Name: 1-(azetidin-1-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)N1CCC1
• InChI: InChI=1S/C25H32N8O4/c34-23(32-7-1-8-32)17-36-20-15-27-24(28-16-20)29-18-2-4-19(5-3-18)37-25-30-22(31-10-12-35-13-11-31)14-21-26-6-9-33(21)25/h6,9,14-16,18-19H,1-5,7-8,10-13,17H2,(H,27,28,29)
• InChIKey: OQTUQQQSCZKIMO-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 119.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-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-(azetidin-1-yl)-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyethanone (CID 170394578) is 1-(azetidin-1-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-(azetidin-1-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-(azetidin-1-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)N1CCC1.

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

The InChIKey is OQTUQQQSCZKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O4/c34-23(32-7-1-8-32)17-36-20-15-27-24(28-16-20)29-18-2-4-19(5-3-18)37-25-30-22(31-10-12-35-13-11-31)14-21-26-6-9-33(21)25/h6,9,14-16,18-19H,1-5,7-8,10-13,17H2,(H,27,28,29).

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

1-(azetidin-1-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 508.58 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(azetidin-1-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 170394578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).