2,4,6-tripyridin-4-ylpyrimidine

C19H13N5 — CID 46317152

IUPAC2,4,6-tripyridin-4-ylpyrimidine
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1
InChIInChI=1S/C19H13N5/c1-7-20-8-2-14(1)17-13-18(15-3-9-21-10-4-15)24-19(23-17)16-5-11-22-12-6-16/h1-13H
InChIKeyCIOWRYCRGAJGAW-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.66
Rot. Bonds3

About 2,4,6-tripyridin-4-ylpyrimidine

2,4,6-tripyridin-4-ylpyrimidine (PubChem CID 46317152) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2,4,6-tripyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2,4,6-tripyridin-4-ylpyrimidine
PubChem CID46317152
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name2,4,6-tripyridin-4-ylpyrimidine
SMILESc1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1
InChIInChI=1S/C19H13N5/c1-7-20-8-2-14(1)17-13-18(15-3-9-21-10-4-15)24-19(23-17)16-5-11-22-12-6-16/h1-13H
InChIKeyCIOWRYCRGAJGAW-UHFFFAOYSA-N
XLogP3.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tripyridin-4-ylpyrimidine?
The IUPAC name of 2,4,6-tripyridin-4-ylpyrimidine (CID 46317152) is 2,4,6-tripyridin-4-ylpyrimidine.
What is the SMILES notation for 2,4,6-tripyridin-4-ylpyrimidine?
The canonical SMILES for 2,4,6-tripyridin-4-ylpyrimidine is c1cc(-c2cc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1.
What is the InChIKey of 2,4,6-tripyridin-4-ylpyrimidine?
The InChIKey is CIOWRYCRGAJGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-7-20-8-2-14(1)17-13-18(15-3-9-21-10-4-15)24-19(23-17)16-5-11-22-12-6-16/h1-13H.
What are the key properties of 2,4,6-tripyridin-4-ylpyrimidine?
2,4,6-tripyridin-4-ylpyrimidine has a molecular weight of 311.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tripyridin-4-ylpyrimidine is sourced from PubChem (CID 46317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).