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

C5H7ClN4S — CID 88738544

IUPAC(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1cc(NN)nc(Cl)n1
InChIInChI=1S/C5H7ClN4S/c1-11-4-2-3(10-7)8-5(6)9-4/h2H,7H2,1H3,(H,8,9,10)
InChIKeyZTQWIBBSFKXEQX-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.14
Rot. Bonds2

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

(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 88738544) has the molecular formula C5H7ClN4S and a molecular weight of 190.66 g/mol. Its IUPAC name is (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID88738544
Molecular FormulaC5H7ClN4S
Molecular Weight190.66 g/mol
Exact Mass190.01
IUPAC Name(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1cc(NN)nc(Cl)n1
InChIInChI=1S/C5H7ClN4S/c1-11-4-2-3(10-7)8-5(6)9-4/h2H,7H2,1H3,(H,8,9,10)
InChIKeyZTQWIBBSFKXEQX-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.14
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 (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine (CID 88738544) is (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1cc(NN)nc(Cl)n1.
What is the InChIKey of (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is ZTQWIBBSFKXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4S/c1-11-4-2-3(10-7)8-5(6)9-4/h2H,7H2,1H3,(H,8,9,10).
What are the key properties of (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine?
(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 190.66 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 88738544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).