(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine

C9H8BrN5S — CID 80926989

IUPAC(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(Br)c(Sc2ccncc2)n1
InChIInChI=1S/C9H8BrN5S/c10-7-5-13-9(15-11)14-8(7)16-6-1-3-12-4-2-6/h1-5H,11H2,(H,13,14,15)
InChIKeyMQZPGIIUSLWSNP-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.07
Rot. Bonds3

About (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine

(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine (PubChem CID 80926989) has the molecular formula C9H8BrN5S and a molecular weight of 298.17 g/mol. Its IUPAC name is (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
PubChem CID80926989
Molecular FormulaC9H8BrN5S
Molecular Weight298.17 g/mol
Exact Mass296.97
IUPAC Name(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(Br)c(Sc2ccncc2)n1
InChIInChI=1S/C9H8BrN5S/c10-7-5-13-9(15-11)14-8(7)16-6-1-3-12-4-2-6/h1-5H,11H2,(H,13,14,15)
InChIKeyMQZPGIIUSLWSNP-UHFFFAOYSA-N
XLogP2.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.07
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

[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80925442
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922418
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
CID 80887194

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine?
The IUPAC name of (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine (CID 80926989) is (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine is NNc1ncc(Br)c(Sc2ccncc2)n1.
What is the InChIKey of (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine?
The InChIKey is MQZPGIIUSLWSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5S/c10-7-5-13-9(15-11)14-8(7)16-6-1-3-12-4-2-6/h1-5H,11H2,(H,13,14,15).
What are the key properties of (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine?
(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine has a molecular weight of 298.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80926989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).