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

C24H32N8O4 — CID 170394478

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

N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (PubChem CID 170394478) has the molecular formula C24H32N8O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• PubChem CID: 170394478
• Molecular Formula: C24H32N8O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.25
• IUPAC Name: N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• SMILES: CN(C)C(=O)COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1
• InChI: InChI=1S/C24H32N8O4/c1-30(2)22(33)16-35-19-14-26-23(27-15-19)28-17-3-5-18(6-4-17)36-24-29-21(31-9-11-34-12-10-31)13-20-25-7-8-32(20)24/h7-8,13-15,17-18H,3-6,9-12,16H2,1-2H3,(H,26,27,28)
• InChIKey: JQODIIDFLSVRIL-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 119.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (CID 170394478) is N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

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

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

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

The InChIKey is JQODIIDFLSVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O4/c1-30(2)22(33)16-35-19-14-26-23(27-15-19)28-17-3-5-18(6-4-17)36-24-29-21(31-9-11-34-12-10-31)13-20-25-7-8-32(20)24/h7-8,13-15,17-18H,3-6,9-12,16H2,1-2H3,(H,26,27,28).

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

N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide has a molecular weight of 496.57 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 170394478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).