[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine

C7H9FN4OS — CID 80926249

IUPAC[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(SC2COC2)n1
InChIInChI=1S/C7H9FN4OS/c8-5-1-10-7(12-9)11-6(5)14-4-2-13-3-4/h1,4H,2-3,9H2,(H,10,11,12)
InChIKeyZQUYUMHJJCUPEJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.39
Rot. Bonds3

About [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80926249) has the molecular formula C7H9FN4OS and a molecular weight of 216.24 g/mol. Its IUPAC name is [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80926249
Molecular FormulaC7H9FN4OS
Molecular Weight216.24 g/mol
Exact Mass216.05
IUPAC Name[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(SC2COC2)n1
InChIInChI=1S/C7H9FN4OS/c8-5-1-10-7(12-9)11-6(5)14-4-2-13-3-4/h1,4H,2-3,9H2,(H,10,11,12)
InChIKeyZQUYUMHJJCUPEJ-UHFFFAOYSA-N
XLogP0.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.39
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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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80926249) is [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(SC2COC2)n1.
What is the InChIKey of [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZQUYUMHJJCUPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4OS/c8-5-1-10-7(12-9)11-6(5)14-4-2-13-3-4/h1,4H,2-3,9H2,(H,10,11,12).
What are the key properties of [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 216.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(oxetan-3-ylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80926249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).