2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol

C22H15BrN2O — CID 634165

IUPAC2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H15BrN2O/c23-17-12-10-15(11-13-17)19-14-20(18-8-4-5-9-21(18)26)25-22(24-19)16-6-2-1-3-7-16/h1-14,26H
InChIKeyJRFAZHZGGHAARJ-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.95
Rot. Bonds3

About 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol

2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol (PubChem CID 634165) has the molecular formula C22H15BrN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol
PubChem CID634165
Molecular FormulaC22H15BrN2O
Molecular Weight403.28 g/mol
Exact Mass402.04
IUPAC Name2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H15BrN2O/c23-17-12-10-15(11-13-17)19-14-20(18-8-4-5-9-21(18)26)25-22(24-19)16-6-2-1-3-7-16/h1-14,26H
InChIKeyJRFAZHZGGHAARJ-UHFFFAOYSA-N
XLogP5.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol (CID 634165) is 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol?
The InChIKey is JRFAZHZGGHAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O/c23-17-12-10-15(11-13-17)19-14-20(18-8-4-5-9-21(18)26)25-22(24-19)16-6-2-1-3-7-16/h1-14,26H.
What are the key properties of 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol?
2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol has a molecular weight of 403.28 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 634165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).