8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C19H26F3N3O5 — CID 155839340

About 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 155839340) has the molecular formula C19H26F3N3O5 and a molecular weight of 433.43 g/mol. Its IUPAC name is 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
• PubChem CID: 155839340
• Molecular Formula: C19H26F3N3O5
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.18
• IUPAC Name: 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccnc(OC2CCOC3(C2)CN(C2CCOCC2)C3)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H25N3O3.C2HF3O2/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14;3-2(4,5)1(6)7/h2,6,14-15H,3-5,7-12H2,1H3;(H,6,7)
• InChIKey: DQZMIRYKLOWJJO-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 94.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 155839340) is 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is Cc1ccnc(OC2CCOC3(C2)CN(C2CCOCC2)C3)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

The InChIKey is DQZMIRYKLOWJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.C2HF3O2/c1-13-2-6-18-16(19-13)23-15-5-9-22-17(10-15)11-20(12-17)14-3-7-21-8-4-14;3-2(4,5)1(6)7/h2,6,14-15H,3-5,7-12H2,1H3;(H,6,7).

What are the key properties of 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?

8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methylpyrimidin-2-yl)oxy-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).