N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide

C23H31N9O4 — CID 170394647

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

N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (PubChem CID 170394647) has the molecular formula C23H31N9O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• PubChem CID: 170394647
• Molecular Formula: C23H31N9O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.25
• IUPAC Name: N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide
• SMILES: CN(C)C(=O)COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1
• InChI: InChI=1S/C23H31N9O4/c1-30(2)21(33)14-35-18-12-24-22(25-13-18)28-16-3-5-17(6-4-16)36-23-29-20(31-7-9-34-10-8-31)11-19-26-15-27-32(19)23/h11-13,15-17H,3-10,14H2,1-2H3,(H,24,25,28)
• InChIKey: WEIUTOMBTJUIDC-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 132.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide (CID 170394647) is N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide.

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

The canonical SMILES for N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is CN(C)C(=O)COc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncnn34)CC2)nc1.

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

The InChIKey is WEIUTOMBTJUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N9O4/c1-30(2)21(33)14-35-18-12-24-22(25-13-18)28-16-3-5-17(6-4-16)36-23-29-20(31-7-9-34-10-8-31)11-19-26-15-27-32(19)23/h11-13,15-17H,3-10,14H2,1-2H3,(H,24,25,28).

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

N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide has a molecular weight of 497.56 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[2-[[4-[(7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)oxy]cyclohexyl]amino]pyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 170394647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).