[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

C21H30N4O4 — CID 166192212

About [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (PubChem CID 166192212) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

Molecular Properties

• Compound Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
• PubChem CID: 166192212
• Molecular Formula: C21H30N4O4
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.23
• IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
• SMILES: Cc1cc(C)n2nc(CC(=O)OCC(=O)OC3CC(C)CCC3C(C)C)nc2n1
• InChI: InChI=1S/C21H30N4O4/c1-12(2)16-7-6-13(3)8-17(16)29-20(27)11-28-19(26)10-18-23-21-22-14(4)9-15(5)25(21)24-18/h9,12-13,16-17H,6-8,10-11H2,1-5H3
• InChIKey: LZTDFPOKRJANNM-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 95.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?

The IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate (CID 166192212) is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate.

What is the SMILES notation for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?

The canonical SMILES for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is Cc1cc(C)n2nc(CC(=O)OCC(=O)OC3CC(C)CCC3C(C)C)nc2n1.

What is the InChIKey of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?

The InChIKey is LZTDFPOKRJANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-12(2)16-7-6-13(3)8-17(16)29-20(27)11-28-19(26)10-18-23-21-22-14(4)9-15(5)25(21)24-18/h9,12-13,16-17H,6-8,10-11H2,1-5H3.

What are the key properties of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate?

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate has a molecular weight of 402.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate is sourced from PubChem (CID 166192212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).