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

C13H17F3N4 — CID 59505238

IUPAC8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1nccc(N2CCC3(CCNC3)CC2)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-18-5-1-10(19-11)20-7-3-12(4-8-20)2-6-17-9-12/h1,5,17H,2-4,6-9H2
InChIKeyAXPWIPBYPXRJGQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.08
Rot. Bonds1

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

8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 59505238) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
PubChem CID59505238
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1nccc(N2CCC3(CCNC3)CC2)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-18-5-1-10(19-11)20-7-3-12(4-8-20)2-6-17-9-12/h1,5,17H,2-4,6-9H2
InChIKeyAXPWIPBYPXRJGQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane (CID 59505238) is 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is FC(F)(F)c1nccc(N2CCC3(CCNC3)CC2)n1.
What is the InChIKey of 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is AXPWIPBYPXRJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)11-18-5-1-10(19-11)20-7-3-12(4-8-20)2-6-17-9-12/h1,5,17H,2-4,6-9H2.
What are the key properties of 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane?
8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane has a molecular weight of 286.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59505238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).