[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine

C12H13BrN4O — CID 80915780

IUPAC[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cccc(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-2-10-11(17-14)15-7-16-12(10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyOIRUJHIXVOYFDY-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.88
Rot. Bonds4

About [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine

[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80915780) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
PubChem CID80915780
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1Oc1cccc(Br)c1
InChIInChI=1S/C12H13BrN4O/c1-2-10-11(17-14)15-7-16-12(10)18-9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3,(H,15,16,17)
InChIKeyOIRUJHIXVOYFDY-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

[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
(5-ethyl-6-naphthalen-2-yloxypyrimidin-4-yl)hydrazine
CID 80910099
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
[6-[(5-chloro-3-pyridinyl)oxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80921561
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
[5-ethyl-6-(2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916406
[5-ethyl-6-(2-methylsulfanylphenoxy)pyrimidin-4-yl]hydrazine
CID 80925890
[6-(2-tert-butylphenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80909607
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine (CID 80915780) is [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1Oc1cccc(Br)c1.
What is the InChIKey of [6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is OIRUJHIXVOYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-2-10-11(17-14)15-7-16-12(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)-5-ethylpyrimidin-4-yl]hydrazine?
[6-(3-bromophenoxy)-5-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)-5-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80915780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).