2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine

C11H8N6 — CID 169409382

IUPAC2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine
SMILESc1cnn(-c2ccnc(-c3cnccn3)n2)c1
InChIInChI=1S/C11H8N6/c1-3-15-17(7-1)10-2-4-14-11(16-10)9-8-12-5-6-13-9/h1-8H
InChIKeyQPIRXBBZUOCVKB-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.12
Rot. Bonds2

About 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine

2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine (PubChem CID 169409382) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine
PubChem CID169409382
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine
SMILESc1cnn(-c2ccnc(-c3cnccn3)n2)c1
InChIInChI=1S/C11H8N6/c1-3-15-17(7-1)10-2-4-14-11(16-10)9-8-12-5-6-13-9/h1-8H
InChIKeyQPIRXBBZUOCVKB-UHFFFAOYSA-N
XLogP1.12
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine?
The IUPAC name of 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine (CID 169409382) is 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine?
The canonical SMILES for 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine is c1cnn(-c2ccnc(-c3cnccn3)n2)c1.
What is the InChIKey of 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine?
The InChIKey is QPIRXBBZUOCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c1-3-15-17(7-1)10-2-4-14-11(16-10)9-8-12-5-6-13-9/h1-8H.
What are the key properties of 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine?
2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine has a molecular weight of 224.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-4-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 169409382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).