[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine

C11H20N4O2S2 — CID 80979482

IUPAC[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C11H20N4O2S2/c1-11(2,3)10-13-8(15-12)7-9(14-10)18-5-6-19(4,16)17/h7H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyQJCISEGIIBJOJL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.20
Rot. Bonds5

About [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 80979482) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID80979482
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C11H20N4O2S2/c1-11(2,3)10-13-8(15-12)7-9(14-10)18-5-6-19(4,16)17/h7H,5-6,12H2,1-4H3,(H,13,14,15)
InChIKeyQJCISEGIIBJOJL-UHFFFAOYSA-N
XLogP1.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.20
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-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
6-(2-methylsulfonylethylsulfanyl)-4-N-propylpyrimidine-2,4-diamine
CID 80883124
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
CID 80979775
methyl 3-(6-amino-2-tert-butylpyrimidin-4-yl)sulfanylpropanoate
CID 80963243
(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287
N-methyl-6-(2-methylsulfonylethylsulfanyl)pyridin-2-amine
CID 80883727
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566632
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
2-tert-butyl-6-(3-methoxypropylsulfanyl)-N-methylpyrimidin-4-amine
CID 80964211
[6-methyl-2-(2-methylsulfonylethylsulfanylmethyl)pyrimidin-4-yl]hydrazine
CID 80656469

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine (CID 80979482) is [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(SCCS(C)(=O)=O)n1.
What is the InChIKey of [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QJCISEGIIBJOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-11(2,3)10-13-8(15-12)7-9(14-10)18-5-6-19(4,16)17/h7H,5-6,12H2,1-4H3,(H,13,14,15).
What are the key properties of [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 304.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).