4-phenoxy-2,6-diphenylpyrimidine

C22H16N2O — CID 796085

IUPAC4-phenoxy-2,6-diphenylpyrimidine
SMILESc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2O/c1-4-10-17(11-5-1)20-16-21(25-19-14-8-3-9-15-19)24-22(23-20)18-12-6-2-7-13-18/h1-16H
InChIKeyJRSBHHYFFJHVFE-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.60
Rot. Bonds4

About 4-phenoxy-2,6-diphenylpyrimidine

4-phenoxy-2,6-diphenylpyrimidine (PubChem CID 796085) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-phenoxy-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-phenoxy-2,6-diphenylpyrimidine
PubChem CID796085
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name4-phenoxy-2,6-diphenylpyrimidine
SMILESc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16N2O/c1-4-10-17(11-5-1)20-16-21(25-19-14-8-3-9-15-19)24-22(23-20)18-12-6-2-7-13-18/h1-16H
InChIKeyJRSBHHYFFJHVFE-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2,6-diphenylpyrimidine?
The IUPAC name of 4-phenoxy-2,6-diphenylpyrimidine (CID 796085) is 4-phenoxy-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-phenoxy-2,6-diphenylpyrimidine?
The canonical SMILES for 4-phenoxy-2,6-diphenylpyrimidine is c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-phenoxy-2,6-diphenylpyrimidine?
The InChIKey is JRSBHHYFFJHVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c1-4-10-17(11-5-1)20-16-21(25-19-14-8-3-9-15-19)24-22(23-20)18-12-6-2-7-13-18/h1-16H.
What are the key properties of 4-phenoxy-2,6-diphenylpyrimidine?
4-phenoxy-2,6-diphenylpyrimidine has a molecular weight of 324.38 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2,6-diphenylpyrimidine is sourced from PubChem (CID 796085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).