4-phenoxy-6-phenylpyrimidine

C16H12N2O — CID 824763

IUPAC4-phenoxy-6-phenylpyrimidine
SMILESc1ccc(Oc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2O/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)19-14-9-5-2-6-10-14/h1-12H
InChIKeyBVFVHSFYHFOBEB-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.94
Rot. Bonds3

About 4-phenoxy-6-phenylpyrimidine

4-phenoxy-6-phenylpyrimidine (PubChem CID 824763) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-phenoxy-6-phenylpyrimidine.

Molecular Properties

Compound Name4-phenoxy-6-phenylpyrimidine
PubChem CID824763
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name4-phenoxy-6-phenylpyrimidine
SMILESc1ccc(Oc2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2O/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)19-14-9-5-2-6-10-14/h1-12H
InChIKeyBVFVHSFYHFOBEB-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-phenylpyrimidine?
The IUPAC name of 4-phenoxy-6-phenylpyrimidine (CID 824763) is 4-phenoxy-6-phenylpyrimidine.
What is the SMILES notation for 4-phenoxy-6-phenylpyrimidine?
The canonical SMILES for 4-phenoxy-6-phenylpyrimidine is c1ccc(Oc2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 4-phenoxy-6-phenylpyrimidine?
The InChIKey is BVFVHSFYHFOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)19-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4-phenoxy-6-phenylpyrimidine?
4-phenoxy-6-phenylpyrimidine has a molecular weight of 248.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-phenylpyrimidine is sourced from PubChem (CID 824763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).