5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid

C10H13F3N4O2 — CID 86673537

IUPAC5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.C2HF3O2/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2;(H,6,7)
InChIKeyWPXQHVJNTFEXNJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.52
Rot. Bonds1

About 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid

5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 86673537) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
PubChem CID86673537
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Name5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4.C2HF3O2/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2;(H,6,7)
InChIKeyWPXQHVJNTFEXNJ-UHFFFAOYSA-N
XLogP0.52
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Piperazin-1-yl)pyrimidine dihydrochloride
CID 138989368
3-[(Pyrimidin-5-yl)amino]propanoic acid
CID 82539654
Pyrimidine, 4-amino-5-carboxymethylamino-
CID 23422079
Pyrimidine, 5-amino-4-carboxymethylamino-
CID 23422082
5-(Piperazin-1-yl)pyrimidine
CID 11041042
2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
CID 18452870
1-Pyrimidin-4-yl-piperidin-4-ylamine trifluoroacetate
CID 22394384
5-(Piperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59793513
1-(5-Chloropyrimidin-4-yl)piperazine trifluoroacetic acid salt
CID 67401799
2-(4-Methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 68682830
Pyrimidin-5-amine;2,2,2-trifluoroacetic acid
CID 69046453
[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid
CID 71226815

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (CID 86673537) is 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is WPXQHVJNTFEXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C2HF3O2/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;3-2(4,5)1(6)7/h5-7,9H,1-4H2;(H,6,7).
What are the key properties of 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 278.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86673537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).