[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine

C11H16N6S — CID 106716130

IUPAC[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCSCc1nc(NN)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H16N6S/c1-3-18-7-11-14-9(4-10(15-11)16-12)8-5-13-17(2)6-8/h4-6H,3,7,12H2,1-2H3,(H,14,15,16)
InChIKeyXRZAEKZSHIEEMD-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.42
Rot. Bonds5

About [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine

[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 106716130) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID106716130
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
SMILESCCSCc1nc(NN)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H16N6S/c1-3-18-7-11-14-9(4-10(15-11)16-12)8-5-13-17(2)6-8/h4-6H,3,7,12H2,1-2H3,(H,14,15,16)
InChIKeyXRZAEKZSHIEEMD-UHFFFAOYSA-N
XLogP1.42
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.42
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-(4-methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716175
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
[2-(1-methylpyrazol-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716205
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226
[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716236
[2-(1-methylpyrazol-4-yl)-6-phenylpyrimidin-4-yl]hydrazine
CID 62251648
[6-(1-methylpyrazol-4-yl)-2-pyrazin-2-ylpyrimidin-4-yl]hydrazine
CID 106716096
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
[2-(5-bromothiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716157
[2-(2-methylfuran-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716181

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine (CID 106716130) is [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is CCSCc1nc(NN)cc(-c2cnn(C)c2)n1.
What is the InChIKey of [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is XRZAEKZSHIEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-3-18-7-11-14-9(4-10(15-11)16-12)8-5-13-17(2)6-8/h4-6H,3,7,12H2,1-2H3,(H,14,15,16).
What are the key properties of [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine?
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106716130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).