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

C24H32N8O4 — CID 175960806

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

2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide (PubChem CID 175960806) has the molecular formula C24H32N8O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide.

Molecular Properties

• Compound Name: 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide
• PubChem CID: 175960806
• Molecular Formula: C24H32N8O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.25
• IUPAC Name: 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide
• SMILES: CC(C)(Oc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1)C(N)=O
• InChI: InChI=1S/C24H32N8O4/c1-24(2,21(25)33)36-18-14-27-22(28-15-18)29-16-3-5-17(6-4-16)35-23-30-20(31-9-11-34-12-10-31)13-19-26-7-8-32(19)23/h7-8,13-17H,3-6,9-12H2,1-2H3,(H2,25,33)(H,27,28,29)
• InChIKey: DPMCPGJSYAJFLM-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 142.02 Ų
• H-Bond Donors: 2
• 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	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide (CID 175960806) is 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide.

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

The canonical SMILES for 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide is CC(C)(Oc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4nccn34)CC2)nc1)C(N)=O.

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

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

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

2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide has a molecular weight of 496.57 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[2-[[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]oxypropanamide is sourced from PubChem (CID 175960806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).