5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine

C18H12N6 — CID 4067788

IUPAC5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine
SMILESc1cncc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)c1
InChIInChI=1S/C18H12N6/c1-3-13(9-19-5-1)17-15(16-12-21-7-8-22-16)11-23-18(24-17)14-4-2-6-20-10-14/h1-12H
InChIKeySQZLCULNMYEEGI-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds3

About 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine

5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine (PubChem CID 4067788) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine.

Molecular Properties

Compound Name5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine
PubChem CID4067788
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine
SMILESc1cncc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)c1
InChIInChI=1S/C18H12N6/c1-3-13(9-19-5-1)17-15(16-12-21-7-8-22-16)11-23-18(24-17)14-4-2-6-20-10-14/h1-12H
InChIKeySQZLCULNMYEEGI-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

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine?
The IUPAC name of 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine (CID 4067788) is 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine.
What is the SMILES notation for 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine?
The canonical SMILES for 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine is c1cncc(-c2ncc(-c3cnccn3)c(-c3cccnc3)n2)c1.
What is the InChIKey of 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine?
The InChIKey is SQZLCULNMYEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-3-13(9-19-5-1)17-15(16-12-21-7-8-22-16)11-23-18(24-17)14-4-2-6-20-10-14/h1-12H.
What are the key properties of 5-pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine?
5-pyrazin-2-yl-2,4-dipyridin-3-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-2,4-dipyridin-3-ylpyrimidine is sourced from PubChem (CID 4067788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).