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

C9H13F3N4 — CID 166522985

IUPAC1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine
SMILESFC(F)(F)C1CNC(N2C=CC=NC2)CN1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)7-4-15-8(5-14-7)16-3-1-2-13-6-16/h1-3,7-8,14-15H,4-6H2
InChIKeyRLKNKQMHYKPISU-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.29
Rot. Bonds1

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

1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine (PubChem CID 166522985) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine
PubChem CID166522985
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine
SMILESFC(F)(F)C1CNC(N2C=CC=NC2)CN1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)7-4-15-8(5-14-7)16-3-1-2-13-6-16/h1-3,7-8,14-15H,4-6H2
InChIKeyRLKNKQMHYKPISU-UHFFFAOYSA-N
XLogP0.29
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine?
The IUPAC name of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine (CID 166522985) is 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine.
What is the SMILES notation for 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine?
The canonical SMILES for 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine is FC(F)(F)C1CNC(N2C=CC=NC2)CN1.
What is the InChIKey of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine?
The InChIKey is RLKNKQMHYKPISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)7-4-15-8(5-14-7)16-3-1-2-13-6-16/h1-3,7-8,14-15H,4-6H2.
What are the key properties of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine?
1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine has a molecular weight of 234.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine is sourced from PubChem (CID 166522985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).