[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine

C11H11BrN4 — CID 66481286

IUPAC[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(-c2nccc(NN)n2)ccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-6-8(2-3-9(7)12)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyBGVKYDGGVKNXFA-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.50
Rot. Bonds2

About [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine

[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine (PubChem CID 66481286) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine
PubChem CID66481286
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(-c2nccc(NN)n2)ccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-6-8(2-3-9(7)12)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyBGVKYDGGVKNXFA-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.50
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'}

Analyze [2-(4-bromo-3-methylphenyl)pyrimidin-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 [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine (CID 66481286) is [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine is Cc1cc(-c2nccc(NN)n2)ccc1Br.
What is the InChIKey of [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is BGVKYDGGVKNXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-6-8(2-3-9(7)12)11-14-5-4-10(15-11)16-13/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine?
[2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 279.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-methylphenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 66481286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).