[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine

C9H9FN4OS — CID 80925534

IUPAC[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C9H9FN4OS/c10-7-4-12-9(14-11)13-8(7)16-5-6-2-1-3-15-6/h1-4H,5,11H2,(H,12,13,14)
InChIKeyBYPVGNOTWMQLNI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.79
Rot. Bonds4

About [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine (PubChem CID 80925534) has the molecular formula C9H9FN4OS and a molecular weight of 240.26 g/mol. Its IUPAC name is [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
PubChem CID80925534
Molecular FormulaC9H9FN4OS
Molecular Weight240.26 g/mol
Exact Mass240.05
IUPAC Name[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C9H9FN4OS/c10-7-4-12-9(14-11)13-8(7)16-5-6-2-1-3-15-6/h1-4H,5,11H2,(H,12,13,14)
InChIKeyBYPVGNOTWMQLNI-UHFFFAOYSA-N
XLogP1.79
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.79
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-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine (CID 80925534) is [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine is NNc1ncc(F)c(SCc2ccco2)n1.
What is the InChIKey of [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
The InChIKey is BYPVGNOTWMQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4OS/c10-7-4-12-9(14-11)13-8(7)16-5-6-2-1-3-15-6/h1-4H,5,11H2,(H,12,13,14).
What are the key properties of [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine has a molecular weight of 240.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80925534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).