2-(2-methyl-6-phenylpyrimidin-4-yl)phenol

C17H14N2O — CID 621760

IUPAC2-(2-methyl-6-phenylpyrimidin-4-yl)phenol
SMILESCc1nc(-c2ccccc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C17H14N2O/c1-12-18-15(13-7-3-2-4-8-13)11-16(19-12)14-9-5-6-10-17(14)20/h2-11,20H,1H3
InChIKeyZBTOBDJSNCUGKS-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.82
Rot. Bonds2

About 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol

2-(2-methyl-6-phenylpyrimidin-4-yl)phenol (PubChem CID 621760) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2-(2-methyl-6-phenylpyrimidin-4-yl)phenol
PubChem CID621760
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(2-methyl-6-phenylpyrimidin-4-yl)phenol
SMILESCc1nc(-c2ccccc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C17H14N2O/c1-12-18-15(13-7-3-2-4-8-13)11-16(19-12)14-9-5-6-10-17(14)20/h2-11,20H,1H3
InChIKeyZBTOBDJSNCUGKS-UHFFFAOYSA-N
XLogP3.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol?
The IUPAC name of 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol (CID 621760) is 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol.
What is the SMILES notation for 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol?
The canonical SMILES for 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol is Cc1nc(-c2ccccc2)cc(-c2ccccc2O)n1.
What is the InChIKey of 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol?
The InChIKey is ZBTOBDJSNCUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-18-15(13-7-3-2-4-8-13)11-16(19-12)14-9-5-6-10-17(14)20/h2-11,20H,1H3.
What are the key properties of 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol?
2-(2-methyl-6-phenylpyrimidin-4-yl)phenol has a molecular weight of 262.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-phenylpyrimidin-4-yl)phenol is sourced from PubChem (CID 621760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).