4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid

C11H12F6N4O2 — CID 87595101

IUPAC4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)c1nccc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11F3N4.C2HF3O2/c10-9(11,12)8-14-2-1-7(15-8)16-5-3-13-4-6-16;3-2(4,5)1(6)7/h1-2,13H,3-6H2;(H,6,7)
InChIKeyUWEZOLJIRVJCBN-UHFFFAOYSA-N
MW346.23 g/mol
LogP1.54
Rot. Bonds1

About 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid

4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 87595101) has the molecular formula C11H12F6N4O2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
PubChem CID87595101
Molecular FormulaC11H12F6N4O2
Molecular Weight346.23 g/mol
Exact Mass346.09
IUPAC Name4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)c1nccc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11F3N4.C2HF3O2/c10-9(11,12)8-14-2-1-7(15-8)16-5-3-13-4-6-16;3-2(4,5)1(6)7/h1-2,13H,3-6H2;(H,6,7)
InChIKeyUWEZOLJIRVJCBN-UHFFFAOYSA-N
XLogP1.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid (CID 87595101) is 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid is FC(F)(F)c1nccc(N2CCNCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is UWEZOLJIRVJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4.C2HF3O2/c10-9(11,12)8-14-2-1-7(15-8)16-5-3-13-4-6-16;3-2(4,5)1(6)7/h1-2,13H,3-6H2;(H,6,7).
What are the key properties of 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid?
4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 346.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87595101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).