2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine

C13H12F3N5 — CID 141397861

IUPAC2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(N2CCCC2c2cncnc2)cn1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)11-6-20-12(7-19-11)21-3-1-2-10(21)9-4-17-8-18-5-9/h4-8,10H,1-3H2
InChIKeyLGLOJAWQHKHEKW-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.63
Rot. Bonds2

About 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine

2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine (PubChem CID 141397861) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine
PubChem CID141397861
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(N2CCCC2c2cncnc2)cn1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)11-6-20-12(7-19-11)21-3-1-2-10(21)9-4-17-8-18-5-9/h4-8,10H,1-3H2
InChIKeyLGLOJAWQHKHEKW-UHFFFAOYSA-N
XLogP2.63
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine (CID 141397861) is 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine is FC(F)(F)c1cnc(N2CCCC2c2cncnc2)cn1.
What is the InChIKey of 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine?
The InChIKey is LGLOJAWQHKHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)11-6-20-12(7-19-11)21-3-1-2-10(21)9-4-17-8-18-5-9/h4-8,10H,1-3H2.
What are the key properties of 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine?
2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine has a molecular weight of 295.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrimidin-5-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 141397861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).