[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

C9H12N6S — CID 80902306

IUPAC[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(-n2ccnc2C)n1
InChIInChI=1S/C9H12N6S/c1-6-11-3-4-15(6)8-5-7(14-10)12-9(13-8)16-2/h3-5H,10H2,1-2H3,(H,12,13,14)
InChIKeyLJUDBJSDFCZMRI-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.98
Rot. Bonds3

About [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine

[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80902306) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
PubChem CID80902306
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(-n2ccnc2C)n1
InChIInChI=1S/C9H12N6S/c1-6-11-3-4-15(6)8-5-7(14-10)12-9(13-8)16-2/h3-5H,10H2,1-2H3,(H,12,13,14)
InChIKeyLJUDBJSDFCZMRI-UHFFFAOYSA-N
XLogP0.98
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.98
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 [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine (CID 80902306) is [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(-n2ccnc2C)n1.
What is the InChIKey of [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is LJUDBJSDFCZMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6-11-3-4-15(6)8-5-7(14-10)12-9(13-8)16-2/h3-5H,10H2,1-2H3,(H,12,13,14).
What are the key properties of [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine?
[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 236.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80902306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).