(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine

C9H16N4S — CID 80979490

IUPAC(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4S/c1-9(2,3)8-11-6(13-10)5-7(12-8)14-4/h5H,10H2,1-4H3,(H,11,12,13)
InChIKeyDYINPWKDOYHXDN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.78
Rot. Bonds2

About (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine

(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80979490) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80979490
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
SMILESCSc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C9H16N4S/c1-9(2,3)8-11-6(13-10)5-7(12-8)14-4/h5H,10H2,1-4H3,(H,11,12,13)
InChIKeyDYINPWKDOYHXDN-UHFFFAOYSA-N
XLogP1.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
CID 80979775
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738544
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979287
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107785381
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
5-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80972938
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine (CID 80979490) is (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine is CSc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is DYINPWKDOYHXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(2,3)8-11-6(13-10)5-7(12-8)14-4/h5H,10H2,1-4H3,(H,11,12,13).
What are the key properties of (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine?
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 212.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).