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

C13H15BrN4O — CID 80947208

IUPAC[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4O/c1-2-3-11-16-12(18-15)8-13(17-11)19-10-6-4-9(14)5-7-10/h4-8H,2-3,15H2,1H3,(H,16,17,18)
InChIKeyVXZDXXXMMRZOST-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.27
Rot. Bonds5

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

[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80947208) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80947208
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4O/c1-2-3-11-16-12(18-15)8-13(17-11)19-10-6-4-9(14)5-7-10/h4-8H,2-3,15H2,1H3,(H,16,17,18)
InChIKeyVXZDXXXMMRZOST-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
[6-(3,5-difluorophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947113
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
[6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 107662936
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
[6-(2,5-dimethylpyrazol-3-yl)oxy-2-propylpyrimidin-4-yl]hydrazine
CID 81346337

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine (CID 80947208) is [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is VXZDXXXMMRZOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-3-11-16-12(18-15)8-13(17-11)19-10-6-4-9(14)5-7-10/h4-8H,2-3,15H2,1H3,(H,16,17,18).
What are the key properties of [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine?
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80947208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).