4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine

C21H16N4O — CID 23000521

IUPAC4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine
SMILESCOc1nc(-c2ccncc2)nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C21H16N4O/c1-26-21-18(15-5-3-2-4-6-15)19(16-7-11-22-12-8-16)24-20(25-21)17-9-13-23-14-10-17/h2-14H,1H3
InChIKeyWQWFSFGFOLUZQW-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.28
Rot. Bonds4

About 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine

4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine (PubChem CID 23000521) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine
PubChem CID23000521
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine
SMILESCOc1nc(-c2ccncc2)nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C21H16N4O/c1-26-21-18(15-5-3-2-4-6-15)19(16-7-11-22-12-8-16)24-20(25-21)17-9-13-23-14-10-17/h2-14H,1H3
InChIKeyWQWFSFGFOLUZQW-UHFFFAOYSA-N
XLogP4.28
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine?
The IUPAC name of 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine (CID 23000521) is 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine.
What is the SMILES notation for 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine?
The canonical SMILES for 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine is COc1nc(-c2ccncc2)nc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine?
The InChIKey is WQWFSFGFOLUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-21-18(15-5-3-2-4-6-15)19(16-7-11-22-12-8-16)24-20(25-21)17-9-13-23-14-10-17/h2-14H,1H3.
What are the key properties of 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine?
4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine has a molecular weight of 340.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-phenyl-2,6-dipyridin-4-ylpyrimidine is sourced from PubChem (CID 23000521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).