(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine

C5H7FN4S — CID 10855987

IUPAC(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1ncc(F)c(NN)n1
InChIInChI=1S/C5H7FN4S/c1-11-5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyKOKYQPMHXPZOJC-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.62
Rot. Bonds2

About (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine

(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 10855987) has the molecular formula C5H7FN4S and a molecular weight of 174.20 g/mol. Its IUPAC name is (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID10855987
Molecular FormulaC5H7FN4S
Molecular Weight174.20 g/mol
Exact Mass174.04
IUPAC Name(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1ncc(F)c(NN)n1
InChIInChI=1S/C5H7FN4S/c1-11-5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKeyKOKYQPMHXPZOJC-UHFFFAOYSA-N
XLogP0.62
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine (CID 10855987) is (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1ncc(F)c(NN)n1.
What is the InChIKey of (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is KOKYQPMHXPZOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4S/c1-11-5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
(5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 174.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 10855987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).