[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine

C12H12Br2N4O — CID 107727403

IUPAC[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)ncc2Br)cc(C)c1Br
InChIInChI=1S/C12H12Br2N4O/c1-6-3-8(4-7(2)10(6)14)19-11-9(13)5-16-12(17-11)18-15/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyVERVCWVBQLYAES-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.70
Rot. Bonds3

About [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 107727403) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
PubChem CID107727403
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2nc(NN)ncc2Br)cc(C)c1Br
InChIInChI=1S/C12H12Br2N4O/c1-6-3-8(4-7(2)10(6)14)19-11-9(13)5-16-12(17-11)18-15/h3-5H,15H2,1-2H3,(H,16,17,18)
InChIKeyVERVCWVBQLYAES-UHFFFAOYSA-N
XLogP3.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine (CID 107727403) is [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine is Cc1cc(Oc2nc(NN)ncc2Br)cc(C)c1Br.
What is the InChIKey of [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is VERVCWVBQLYAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c1-6-3-8(4-7(2)10(6)14)19-11-9(13)5-16-12(17-11)18-15/h3-5H,15H2,1-2H3,(H,16,17,18).
What are the key properties of [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 388.06 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107727403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).