[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine

C11H10BrFN4 — CID 116897173

IUPAC[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(NN)n1
InChIInChI=1S/C11H10BrFN4/c1-6-4-10(16-11(15-6)17-14)8-5-7(12)2-3-9(8)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyXBFJGXZBKCVUIE-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.64
Rot. Bonds2

About [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine

[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 116897173) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID116897173
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(NN)n1
InChIInChI=1S/C11H10BrFN4/c1-6-4-10(16-11(15-6)17-14)8-5-7(12)2-3-9(8)13/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyXBFJGXZBKCVUIE-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192450
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
[4-(2,5-dichlorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192453
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
[4-methyl-6-(2,3,4-trimethylphenyl)pyrimidin-2-yl]hydrazine
CID 116897188
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
(4-methyl-6-naphthalen-1-ylpyrimidin-2-yl)hydrazine
CID 116897194
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 82966780

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine (CID 116897173) is [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(-c2cc(Br)ccc2F)nc(NN)n1.
What is the InChIKey of [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is XBFJGXZBKCVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-6-4-10(16-11(15-6)17-14)8-5-7(12)2-3-9(8)13/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine?
[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 297.13 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116897173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).