(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine

C5H7BrN4O2S — CID 163304288

IUPAC(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
SMILESCS(=O)(=O)c1ncc(Br)c(NN)n1
InChIInChI=1S/C5H7BrN4O2S/c1-13(11,12)5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyZZPJSAJNJDUYJL-UHFFFAOYSA-N
MW267.11 g/mol
LogP-0.07
Rot. Bonds2

About (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine

(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine (PubChem CID 163304288) has the molecular formula C5H7BrN4O2S and a molecular weight of 267.11 g/mol. Its IUPAC name is (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
PubChem CID163304288
Molecular FormulaC5H7BrN4O2S
Molecular Weight267.11 g/mol
Exact Mass265.95
IUPAC Name(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine
SMILESCS(=O)(=O)c1ncc(Br)c(NN)n1
InChIInChI=1S/C5H7BrN4O2S/c1-13(11,12)5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyZZPJSAJNJDUYJL-UHFFFAOYSA-N
XLogP-0.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 69774500
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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine (CID 163304288) is (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine is CS(=O)(=O)c1ncc(Br)c(NN)n1.
What is the InChIKey of (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine?
The InChIKey is ZZPJSAJNJDUYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O2S/c1-13(11,12)5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine?
(5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine has a molecular weight of 267.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylsulfonylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 163304288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).