[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine

C12H13BrN4O — CID 80939353

IUPAC[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyQYHXDZPBXUZAJU-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.88
Rot. Bonds4

About [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine

[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80939353) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80939353
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C12H13BrN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyQYHXDZPBXUZAJU-UHFFFAOYSA-N
XLogP2.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.88
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-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine (CID 80939353) is [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2cccc(Br)c2)n1.
What is the InChIKey of [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is QYHXDZPBXUZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-10-15-11(17-14)7-12(16-10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 309.17 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80939353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).