5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine

C17H13BrN2O — CID 107086555

IUPAC5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine
SMILESBrCc1cnc(Oc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C17H13BrN2O/c18-10-13-11-19-17(20-12-13)21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9,11-12H,10H2
InChIKeyYIJDZXRAROXVFK-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.83
Rot. Bonds4

About 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine

5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine (PubChem CID 107086555) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine
PubChem CID107086555
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine
SMILESBrCc1cnc(Oc2ccccc2-c2ccccc2)nc1
InChIInChI=1S/C17H13BrN2O/c18-10-13-11-19-17(20-12-13)21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9,11-12H,10H2
InChIKeyYIJDZXRAROXVFK-UHFFFAOYSA-N
XLogP4.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
CID 107089324
5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606
6-(2-phenylphenoxy)pyridine-3-carbaldehyde
CID 80631698
1-phenyl-2-[2-[2-(2-phenylphenyl)phenoxy]phenyl]benzene
CID 67263079
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1-(bromomethyl)-3-(2-phenylphenyl)benzene
CID 67009845
9-bromo-10-(2-phenylphenoxy)anthracene
CID 86096459
5-methyl-2-(2-phenylphenoxy)pyridin-3-amine
CID 66278690
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1,1'-biphenyl;bromomethylbenzene
CID 18398670

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine (CID 107086555) is 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine is BrCc1cnc(Oc2ccccc2-c2ccccc2)nc1.
What is the InChIKey of 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine?
The InChIKey is YIJDZXRAROXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-10-13-11-19-17(20-12-13)21-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9,11-12H,10H2.
What are the key properties of 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine?
5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine has a molecular weight of 341.21 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(2-phenylphenoxy)pyrimidine is sourced from PubChem (CID 107086555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).