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

C13H15BrN4 — CID 62252742

IUPAC[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-2-5-9-8-12(18-15)17-13(16-9)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyQPHZYBJRICUBGX-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds4

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

[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 62252742) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine
PubChem CID62252742
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(-c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN4/c1-2-5-9-8-12(18-15)17-13(16-9)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18)
InChIKeyQPHZYBJRICUBGX-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
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 [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine (CID 62252742) is [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(-c2ccccc2Br)n1.
What is the InChIKey of [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is QPHZYBJRICUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-5-9-8-12(18-15)17-13(16-9)10-6-3-4-7-11(10)14/h3-4,6-8H,2,5,15H2,1H3,(H,16,17,18).
What are the key properties of [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine?
[2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 307.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62252742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).