[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine

C9H16N4O2S2 — CID 80656469

IUPAC[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CSCCS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S2/c1-7-5-8(13-10)12-9(11-7)6-16-3-4-17(2,14)15/h5H,3-4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyQSTNDYRATXTGMI-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.35
Rot. Bonds6

About [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine

[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine (PubChem CID 80656469) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
PubChem CID80656469
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(CSCCS(C)(=O)=O)n1
InChIInChI=1S/C9H16N4O2S2/c1-7-5-8(13-10)12-9(11-7)6-16-3-4-17(2,14)15/h5H,3-4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyQSTNDYRATXTGMI-UHFFFAOYSA-N
XLogP0.35
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine (CID 80656469) is [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(CSCCS(C)(=O)=O)n1.
What is the InChIKey of [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QSTNDYRATXTGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-7-5-8(13-10)12-9(11-7)6-16-3-4-17(2,14)15/h5H,3-4,6,10H2,1-2H3,(H,11,12,13).
What are the key properties of [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine?
[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 276.39 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80656469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).