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

C9H14ClF3N4 — CID 166522984

IUPAC1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride
SMILESCl.FC(F)(F)C1CNC(N2C=CC=NC2)CN1
InChIInChI=1S/C9H13F3N4.ClH/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;1H
InChIKeyJEPQITXEWXUVQX-UHFFFAOYSA-N
MW270.69 g/mol
LogP0.72
Rot. Bonds1

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

1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride (PubChem CID 166522984) has the molecular formula C9H14ClF3N4 and a molecular weight of 270.69 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride
PubChem CID166522984
Molecular FormulaC9H14ClF3N4
Molecular Weight270.69 g/mol
Exact Mass270.09
IUPAC Name1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride
SMILESCl.FC(F)(F)C1CNC(N2C=CC=NC2)CN1
InChIInChI=1S/C9H13F3N4.ClH/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;1H
InChIKeyJEPQITXEWXUVQX-UHFFFAOYSA-N
XLogP0.72
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 50.72
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;hydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride (CID 166522984) is 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride is Cl.FC(F)(F)C1CNC(N2C=CC=NC2)CN1.
What is the InChIKey of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride?
The InChIKey is JEPQITXEWXUVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4.ClH/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;1H.
What are the key properties of 1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride?
1-[5-(trifluoromethyl)piperazin-2-yl]-2H-pyrimidine;hydrochloride has a molecular weight of 270.69 g/mol, XLogP of 0.72, 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;hydrochloride is sourced from PubChem (CID 166522984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).