2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol

C17H13FN2O — CID 135960792

IUPAC2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C17H13FN2O/c1-11-19-10-14(12-6-2-4-8-15(12)18)17(20-11)13-7-3-5-9-16(13)21/h2-10,21H,1H3
InChIKeyQWECIAMQPDTHRR-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.96
Rot. Bonds2

About 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol

2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol (PubChem CID 135960792) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol
PubChem CID135960792
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol
SMILESCc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C17H13FN2O/c1-11-19-10-14(12-6-2-4-8-15(12)18)17(20-11)13-7-3-5-9-16(13)21/h2-10,21H,1H3
InChIKeyQWECIAMQPDTHRR-UHFFFAOYSA-N
XLogP3.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol (CID 135960792) is 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol is Cc1ncc(-c2ccccc2F)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol?
The InChIKey is QWECIAMQPDTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-19-10-14(12-6-2-4-8-15(12)18)17(20-11)13-7-3-5-9-16(13)21/h2-10,21H,1H3.
What are the key properties of 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol?
2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol has a molecular weight of 280.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-2-methylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135960792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).