1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine

C17H14BrFN4O — CID 59160649

IUPAC1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine
SMILESFc1cnc(OCc2ccccc2)nc1NNc1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN4O/c18-13-6-8-14(9-7-13)22-23-16-15(19)10-20-17(21-16)24-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,20,21,23)
InChIKeyXQQPQDBYSOSFJF-UHFFFAOYSA-N
MW389.23 g/mol
LogP4.40
Rot. Bonds6

About 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine

1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine (PubChem CID 59160649) has the molecular formula C17H14BrFN4O and a molecular weight of 389.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine
PubChem CID59160649
Molecular FormulaC17H14BrFN4O
Molecular Weight389.23 g/mol
Exact Mass388.03
IUPAC Name1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine
SMILESFc1cnc(OCc2ccccc2)nc1NNc1ccc(Br)cc1
InChIInChI=1S/C17H14BrFN4O/c18-13-6-8-14(9-7-13)22-23-16-15(19)10-20-17(21-16)24-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,20,21,23)
InChIKeyXQQPQDBYSOSFJF-UHFFFAOYSA-N
XLogP4.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine 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 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine?
The IUPAC name of 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine (CID 59160649) is 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine?
The canonical SMILES for 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine is Fc1cnc(OCc2ccccc2)nc1NNc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine?
The InChIKey is XQQPQDBYSOSFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN4O/c18-13-6-8-14(9-7-13)22-23-16-15(19)10-20-17(21-16)24-11-12-4-2-1-3-5-12/h1-10,22H,11H2,(H,20,21,23).
What are the key properties of 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine?
1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine has a molecular weight of 389.23 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 59160649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).