5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

C15H15F3N4 — CID 117212437

IUPAC5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2
InChIKeyQDGZLQLVKCXVLV-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.57
Rot. Bonds2

About 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 117212437) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID117212437
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2
InChIKeyQDGZLQLVKCXVLV-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.57
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-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 117212437) is 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is QDGZLQLVKCXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)13-4-2-1-3-12(13)14-20-9-11(10-21-14)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8H2.
What are the key properties of 5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 308.31 g/mol, XLogP of 2.57, 2 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-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 117212437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).