5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine

C9H11F3N4 — CID 59793513

IUPAC5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)8-14-5-7(6-15-8)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyCZUABVNANUQTEN-UHFFFAOYSA-N
MW232.21 g/mol
LogP0.90
Rot. Bonds1

About 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine

5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 59793513) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
PubChem CID59793513
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C9H11F3N4/c10-9(11,12)8-14-5-7(6-15-8)16-3-1-13-2-4-16/h5-6,13H,1-4H2
InChIKeyCZUABVNANUQTEN-UHFFFAOYSA-N
XLogP0.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine (CID 59793513) is 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is CZUABVNANUQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c10-9(11,12)8-14-5-7(6-15-8)16-3-1-13-2-4-16/h5-6,13H,1-4H2.
What are the key properties of 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine?
5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 232.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 59793513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).