1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane

C16H23F3N4O2 — CID 95042866

IUPAC1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C16H23F3N4O2/c1-24-10-8-23-9-11-25-12-15(23)3-6-22(7-4-15)14-20-5-2-13(21-14)16(17,18)19/h2,5H,3-4,6-12H2,1H3
InChIKeyNGRGKHUEAQJITL-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane

1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 95042866) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID95042866
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1nccc(C(F)(F)F)n1)CC2
InChIInChI=1S/C16H23F3N4O2/c1-24-10-8-23-9-11-25-12-15(23)3-6-22(7-4-15)14-20-5-2-13(21-14)16(17,18)19/h2,5H,3-4,6-12H2,1H3
InChIKeyNGRGKHUEAQJITL-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 95042866) is 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCOCC12CCN(c1nccc(C(F)(F)F)n1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is NGRGKHUEAQJITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-24-10-8-23-9-11-25-12-15(23)3-6-22(7-4-15)14-20-5-2-13(21-14)16(17,18)19/h2,5H,3-4,6-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 360.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 95042866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).