5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine

C18H12N6 — CID 3262590

IUPAC5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)c1
InChIInChI=1S/C18H12N6/c1-2-14(10-20-5-1)18-23-11-15(16-12-21-8-9-22-16)17(24-18)13-3-6-19-7-4-13/h1-12H
InChIKeyIBXFXADWMHHQBH-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds3

About 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine

5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine (PubChem CID 3262590) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine
PubChem CID3262590
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)c1
InChIInChI=1S/C18H12N6/c1-2-14(10-20-5-1)18-23-11-15(16-12-21-8-9-22-16)17(24-18)13-3-6-19-7-4-13/h1-12H
InChIKeyIBXFXADWMHHQBH-UHFFFAOYSA-N
XLogP3.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine 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 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine?
The IUPAC name of 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine (CID 3262590) is 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine is c1cncc(-c2ncc(-c3cnccn3)c(-c3ccncc3)n2)c1.
What is the InChIKey of 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine?
The InChIKey is IBXFXADWMHHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-2-14(10-20-5-1)18-23-11-15(16-12-21-8-9-22-16)17(24-18)13-3-6-19-7-4-13/h1-12H.
What are the key properties of 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine?
5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yl-2-pyridin-3-yl-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 3262590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).