2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione

C15H17F3N4O2 — CID 2796056

IUPAC2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)10-3-6-19-13(21-10)20-7-8-22-11(23)9-14(12(22)24)4-1-2-5-14/h3,6H,1-2,4-5,7-9H2,(H,19,20,21)
InChIKeyUOBJIDRFKKIZLY-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.23
Rot. Bonds4

About 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 2796056) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID2796056
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)10-3-6-19-13(21-10)20-7-8-22-11(23)9-14(12(22)24)4-1-2-5-14/h3,6H,1-2,4-5,7-9H2,(H,19,20,21)
InChIKeyUOBJIDRFKKIZLY-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 2796056) is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1CCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is UOBJIDRFKKIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c16-15(17,18)10-3-6-19-13(21-10)20-7-8-22-11(23)9-14(12(22)24)4-1-2-5-14/h3,6H,1-2,4-5,7-9H2,(H,19,20,21).
What are the key properties of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 342.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 2796056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).