[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C12H12Br2N4O2S — CID 80924928

IUPAC[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(Br)c(Oc2cc(NN)nc(SC)n2)cc1Br
InChIInChI=1S/C12H12Br2N4O2S/c1-19-8-3-7(14)9(4-6(8)13)20-11-5-10(18-15)16-12(17-11)21-2/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyMHMRXCUOXCWTNV-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.81
Rot. Bonds5

About [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80924928) has the molecular formula C12H12Br2N4O2S and a molecular weight of 436.13 g/mol. Its IUPAC name is [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80924928
Molecular FormulaC12H12Br2N4O2S
Molecular Weight436.13 g/mol
Exact Mass433.90
IUPAC Name[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCOc1cc(Br)c(Oc2cc(NN)nc(SC)n2)cc1Br
InChIInChI=1S/C12H12Br2N4O2S/c1-19-8-3-7(14)9(4-6(8)13)20-11-5-10(18-15)16-12(17-11)21-2/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyMHMRXCUOXCWTNV-UHFFFAOYSA-N
XLogP3.81
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923
[2-methylsulfanyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80918206
[6-(2-chlorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80915353
[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
3-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 80920197
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
[6-(3-chloro-4-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80921341
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 80925312

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80924928) is [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is COc1cc(Br)c(Oc2cc(NN)nc(SC)n2)cc1Br.
What is the InChIKey of [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is MHMRXCUOXCWTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O2S/c1-19-8-3-7(14)9(4-6(8)13)20-11-5-10(18-15)16-12(17-11)21-2/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 436.13 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).