8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane

C13H17F3N4 — CID 59505729

IUPAC8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1cnc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-18-11(19-8-10)20-5-2-12(3-6-20)1-4-17-9-12/h7-8,17H,1-6,9H2
InChIKeyLEGRDNCVMRTBHV-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.08
Rot. Bonds1

About 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane

8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (PubChem CID 59505729) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
PubChem CID59505729
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane
SMILESFC(F)(F)c1cnc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-18-11(19-8-10)20-5-2-12(3-6-20)1-4-17-9-12/h7-8,17H,1-6,9H2
InChIKeyLEGRDNCVMRTBHV-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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Related Compounds

(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233093
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
10,10-Difluoro-2-(pyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118739006
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
2-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,8-diazaspiro[4.5]decane
CID 56712606
N,N-dimethyl-1-[2-methyl-1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]propan-2-yl]piperidin-4-amine
CID 72138323
5-methyl-4-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97115379
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897

Frequently Asked Questions

What is the IUPAC name of 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane (CID 59505729) is 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is FC(F)(F)c1cnc(N2CCC3(CCNC3)CC2)nc1.
What is the InChIKey of 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
The InChIKey is LEGRDNCVMRTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)10-7-18-11(19-8-10)20-5-2-12(3-6-20)1-4-17-9-12/h7-8,17H,1-6,9H2.
What are the key properties of 8-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane?
8-[5-(trifluoromethyl)pyrimidin-2-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-[5-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 59505729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).