[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine

C11H16N6S — CID 80902171

IUPAC[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C11H16N6S/c1-6-7(2)16-17(8(6)3)10-5-9(15-12)13-11(14-10)18-4/h5H,12H2,1-4H3,(H,13,14,15)
InChIKeyOLMZXMIPAPLHSI-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.60
Rot. Bonds3

About [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine

[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80902171) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80902171
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCSc1nc(NN)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C11H16N6S/c1-6-7(2)16-17(8(6)3)10-5-9(15-12)13-11(14-10)18-4/h5H,12H2,1-4H3,(H,13,14,15)
InChIKeyOLMZXMIPAPLHSI-UHFFFAOYSA-N
XLogP1.60
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.60
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

[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900536
(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80899902
[6-(2-methylimidazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80902306
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80853237
[2-methylsulfanyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929796
[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
[2-methylsulfanyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80924868
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80930524
N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107594496
(6-methoxy-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80909923

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine (CID 80902171) is [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine is CSc1nc(NN)cc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is OLMZXMIPAPLHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-6-7(2)16-17(8(6)3)10-5-9(15-12)13-11(14-10)18-4/h5H,12H2,1-4H3,(H,13,14,15).
What are the key properties of [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80902171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).