2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

C15H21F3N4 — CID 70846843

IUPAC2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C15H21F3N4/c1-2-21-8-4-14(11-21)5-9-22(10-6-14)12-3-7-19-13(20-12)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3
InChIKeyKKHXXUAJRJMLOK-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.81
Rot. Bonds2

About 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 70846843) has the molecular formula C15H21F3N4 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
PubChem CID70846843
Molecular FormulaC15H21F3N4
Molecular Weight314.35 g/mol
Exact Mass314.17
IUPAC Name2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESCCN1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C15H21F3N4/c1-2-21-8-4-14(11-21)5-9-22(10-6-14)12-3-7-19-13(20-12)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3
InChIKeyKKHXXUAJRJMLOK-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (CID 70846843) is 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is CCN1CCC2(CCN(c3ccnc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is KKHXXUAJRJMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-2-21-8-4-14(11-21)5-9-22(10-6-14)12-3-7-19-13(20-12)15(16,17)18/h3,7H,2,4-6,8-11H2,1H3.
What are the key properties of 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 314.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 70846843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).