6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C11H11F3N4O3 — CID 67615666

IUPAC6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10-16-6(5-7(17-10)9(20)21)8(19)18-3-1-15-2-4-18/h5,15H,1-4H2,(H,20,21)
InChIKeyJZJNGWCZGKUBFG-UHFFFAOYSA-N
MW304.23 g/mol
LogP0.24
Rot. Bonds2

About 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 67615666) has the molecular formula C11H11F3N4O3 and a molecular weight of 304.23 g/mol. Its IUPAC name is 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID67615666
Molecular FormulaC11H11F3N4O3
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC Name6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10-16-6(5-7(17-10)9(20)21)8(19)18-3-1-15-2-4-18/h5,15H,1-4H2,(H,20,21)
InChIKeyJZJNGWCZGKUBFG-UHFFFAOYSA-N
XLogP0.24
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 67615666) is 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is JZJNGWCZGKUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3/c12-11(13,14)10-16-6(5-7(17-10)9(20)21)8(19)18-3-1-15-2-4-18/h5,15H,1-4H2,(H,20,21).
What are the key properties of 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 304.23 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazine-1-carbonyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67615666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).