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

C8H7BrN6S — CID 80925442

IUPAC(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(Br)c(Sc2ncccn2)n1
InChIInChI=1S/C8H7BrN6S/c9-5-4-13-7(15-10)14-6(5)16-8-11-2-1-3-12-8/h1-4H,10H2,(H,13,14,15)
InChIKeyYVZODEMTVRWYRV-UHFFFAOYSA-N
MW299.16 g/mol
LogP1.47
Rot. Bonds3

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

(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine (PubChem CID 80925442) has the molecular formula C8H7BrN6S and a molecular weight of 299.16 g/mol. Its IUPAC name is (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
PubChem CID80925442
Molecular FormulaC8H7BrN6S
Molecular Weight299.16 g/mol
Exact Mass297.96
IUPAC Name(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(Br)c(Sc2ncccn2)n1
InChIInChI=1S/C8H7BrN6S/c9-5-4-13-7(15-10)14-6(5)16-8-11-2-1-3-12-8/h1-4H,10H2,(H,13,14,15)
InChIKeyYVZODEMTVRWYRV-UHFFFAOYSA-N
XLogP1.47
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 51.47
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

(5-bromo-4-pyridin-4-ylsulfanylpyrimidin-2-yl)hydrazine
CID 80926989
[5-bromo-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922418
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
[5-bromo-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931159
(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
CID 80924768
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928634
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The IUPAC name of (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine (CID 80925442) is (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine is NNc1ncc(Br)c(Sc2ncccn2)n1.
What is the InChIKey of (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The InChIKey is YVZODEMTVRWYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN6S/c9-5-4-13-7(15-10)14-6(5)16-8-11-2-1-3-12-8/h1-4H,10H2,(H,13,14,15).
What are the key properties of (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
(5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine has a molecular weight of 299.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80925442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).