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'}

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Related Compounds

N-(2-Benzyloxy-5-trifluoromethylpyrimidine-4-yl)aniline
CID 122206380
N-(4-fluorophenyl)-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
CID 141709944
1-Cyclohexyl-2-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 57818525
1-[5-Fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]-1-phenylhydrazine
CID 57818543
1-[5-Fluoro-2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-3-(2-fluorophenyl)urea
CID 57818603
1-[5-Fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-3-phenylurea
CID 57818613
1-Benzyl-1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 57818626
1-Cyclohexyl-2-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)hydrazine
CID 57818689
1-Cyclohexyl-2-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 57818762
1-(5-Fluoro-2-phenylmethoxypyrimidin-4-yl)-2-phenylhydrazine
CID 57818803
1-(5-Fluoro-2-phenylmethoxypyrimidin-4-yl)-2-pyridin-2-ylhydrazine
CID 57818839
1-(2-Fluorophenyl)-3-(5-fluoro-2-phenylmethoxypyrimidin-4-yl)thiourea
CID 57818890

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).