7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

C18H23N3O4 — CID 167420052

About 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 167420052) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
• PubChem CID: 167420052
• Molecular Formula: C18H23N3O4
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.17
• IUPAC Name: 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
• SMILES: CC(C)Oc1nc2nc(C34CC(C)(C3)OC4(C)C)cn2cc1C(=O)O
• InChI: InChI=1S/C18H23N3O4/c1-10(2)24-13-11(14(22)23)6-21-7-12(19-15(21)20-13)18-8-17(5,9-18)25-16(18,3)4/h6-7,10H,8-9H2,1-5H3,(H,22,23)
• InChIKey: YIIFQYKTOKUAJY-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 85.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?

The IUPAC name of 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 167420052) is 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid.

What is the SMILES notation for 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?

The canonical SMILES for 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid is CC(C)Oc1nc2nc(C34CC(C)(C3)OC4(C)C)cn2cc1C(=O)O.

What is the InChIKey of 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?

The InChIKey is YIIFQYKTOKUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-10(2)24-13-11(14(22)23)6-21-7-12(19-15(21)20-13)18-8-17(5,9-18)25-16(18,3)4/h6-7,10H,8-9H2,1-5H3,(H,22,23).

What are the key properties of 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?

7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-propan-2-yloxy-2-(1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 167420052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).