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

C8H7FN6S — CID 80925204

IUPAC(5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C8H7FN6S/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)
InChIKeyQVMXIMYJDLRFTP-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.84
Rot. Bonds3

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

(5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine (PubChem CID 80925204) has the molecular formula C8H7FN6S and a molecular weight of 238.25 g/mol. Its IUPAC name is (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
PubChem CID80925204
Molecular FormulaC8H7FN6S
Molecular Weight238.25 g/mol
Exact Mass238.04
IUPAC Name(5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine
SMILESNNc1ncc(F)c(Sc2ncccn2)n1
InChIInChI=1S/C8H7FN6S/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)
InChIKeyQVMXIMYJDLRFTP-UHFFFAOYSA-N
XLogP0.84
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.84
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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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The IUPAC name of (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine (CID 80925204) is (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine is NNc1ncc(F)c(Sc2ncccn2)n1.
What is the InChIKey of (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
The InChIKey is QVMXIMYJDLRFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN6S/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-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine?
(5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine has a molecular weight of 238.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80925204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).