[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine

C11H11BrN4 — CID 82192450

IUPAC[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2ccc(Br)cc2)nc(NN)n1
InChIInChI=1S/C11H11BrN4/c1-7-6-10(15-11(14-7)16-13)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyVNHAIDOYZJRTEH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.50
Rot. Bonds2

About [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine

[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 82192450) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID82192450
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(-c2ccc(Br)cc2)nc(NN)n1
InChIInChI=1S/C11H11BrN4/c1-7-6-10(15-11(14-7)16-13)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,15,16)
InChIKeyVNHAIDOYZJRTEH-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'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine (CID 82192450) is [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(-c2ccc(Br)cc2)nc(NN)n1.
What is the InChIKey of [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is VNHAIDOYZJRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-6-10(15-11(14-7)16-13)8-2-4-9(12)5-3-8/h2-6H,13H2,1H3,(H,14,15,16).
What are the key properties of [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine?
[4-(4-bromophenyl)-6-methylpyrimidin-2-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 [4-(4-bromophenyl)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 82192450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).