3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid

C13H14N6O2 — CID 62701478

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O2/c20-12(21)10-11(15-5-4-14-10)18-6-8-19(9-7-18)13-16-2-1-3-17-13/h1-5H,6-9H2,(H,20,21)
InChIKeyCIWILCUVCQLRGJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.29
Rot. Bonds3

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid

3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 62701478) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid
PubChem CID62701478
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O2/c20-12(21)10-11(15-5-4-14-10)18-6-8-19(9-7-18)13-16-2-1-3-17-13/h1-5H,6-9H2,(H,20,21)
InChIKeyCIWILCUVCQLRGJ-UHFFFAOYSA-N
XLogP0.29
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid (CID 62701478) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is CIWILCUVCQLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c20-12(21)10-11(15-5-4-14-10)18-6-8-19(9-7-18)13-16-2-1-3-17-13/h1-5H,6-9H2,(H,20,21).
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid?
3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62701478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).