(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine

C8H10N6S — CID 80899902

IUPAC(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)cc(-n2ccnc2)n1
InChIInChI=1S/C8H10N6S/c1-15-8-11-6(13-9)4-7(12-8)14-3-2-10-5-14/h2-5H,9H2,1H3,(H,11,12,13)
InChIKeyUHKKLKOJBCUXOX-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.67
Rot. Bonds3

About (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine

(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80899902) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80899902
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1nc(NN)cc(-n2ccnc2)n1
InChIInChI=1S/C8H10N6S/c1-15-8-11-6(13-9)4-7(12-8)14-3-2-10-5-14/h2-5H,9H2,1H3,(H,11,12,13)
InChIKeyUHKKLKOJBCUXOX-UHFFFAOYSA-N
XLogP0.67
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.67
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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Related Compounds

2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]acetaldehyde
CID 142039592
4-hydrazinyl-6-imidazol-1-ylpyrimidin-2-amine
CID 80900802
4-chloro-6-imidazol-1-yl-2-methylsulfanylpyrimidine;ethane
CID 142040016
[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80902306
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902171
N-[(4-chlorophenyl)methyl]-N'-(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine;propane;hydrochloride
CID 142040053
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
[6-(1,3-dihydroisoindol-2-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80908426
[6-(2-methylpyrrolidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80898992
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231

Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine (CID 80899902) is (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1nc(NN)cc(-n2ccnc2)n1.
What is the InChIKey of (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is UHKKLKOJBCUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-15-8-11-6(13-9)4-7(12-8)14-3-2-10-5-14/h2-5H,9H2,1H3,(H,11,12,13).
What are the key properties of (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine?
(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 222.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80899902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).