1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane

C13H17F3N4 — CID 155202039

IUPAC1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane
SMILESFC(F)(F)c1ncc(N2CNCC23CCCCC3)cn1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-18-6-10(7-19-11)20-9-17-8-12(20)4-2-1-3-5-12/h6-7,17H,1-5,8-9H2
InChIKeyHQWLZKSDKSQJQG-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.57
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane

1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane (PubChem CID 155202039) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane
PubChem CID155202039
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane
SMILESFC(F)(F)c1ncc(N2CNCC23CCCCC3)cn1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-18-6-10(7-19-11)20-9-17-8-12(20)4-2-1-3-5-12/h6-7,17H,1-5,8-9H2
InChIKeyHQWLZKSDKSQJQG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane?
The IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane (CID 155202039) is 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane is FC(F)(F)c1ncc(N2CNCC23CCCCC3)cn1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane?
The InChIKey is HQWLZKSDKSQJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)11-18-6-10(7-19-11)20-9-17-8-12(20)4-2-1-3-5-12/h6-7,17H,1-5,8-9H2.
What are the key properties of 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane?
1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane has a molecular weight of 286.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decane is sourced from PubChem (CID 155202039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).