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

C5H6ClFN4S — CID 86636914

IUPAC(6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)c(F)c(NN)n1
InChIInChI=1S/C5H6ClFN4S/c1-12-5-9-3(6)2(7)4(10-5)11-8/h8H2,1H3,(H,9,10,11)
InChIKeySMEWGZSOMRSWLB-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.28
Rot. Bonds2

About (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine

(6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 86636914) has the molecular formula C5H6ClFN4S and a molecular weight of 208.65 g/mol. Its IUPAC name is (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID86636914
Molecular FormulaC5H6ClFN4S
Molecular Weight208.65 g/mol
Exact Mass208.00
IUPAC Name(6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(Cl)c(F)c(NN)n1
InChIInChI=1S/C5H6ClFN4S/c1-12-5-9-3(6)2(7)4(10-5)11-8/h8H2,1H3,(H,9,10,11)
InChIKeySMEWGZSOMRSWLB-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.28
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 (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine (CID 86636914) is (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1nc(Cl)c(F)c(NN)n1.
What is the InChIKey of (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is SMEWGZSOMRSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN4S/c1-12-5-9-3(6)2(7)4(10-5)11-8/h8H2,1H3,(H,9,10,11).
What are the key properties of (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine?
(6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 208.65 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 86636914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).