(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine

C12H16N4S2 — CID 80979287

IUPAC(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2cccs2)n1
InChIInChI=1S/C12H16N4S2/c1-12(2,3)11-14-8(16-13)7-9(15-11)18-10-5-4-6-17-10/h4-7H,13H2,1-3H3,(H,14,15,16)
InChIKeyNXDURZVFKXTROS-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.27
Rot. Bonds3

About (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine

(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80979287) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80979287
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2cccs2)n1
InChIInChI=1S/C12H16N4S2/c1-12(2,3)11-14-8(16-13)7-9(15-11)18-10-5-4-6-17-10/h4-7H,13H2,1-3H3,(H,14,15,16)
InChIKeyNXDURZVFKXTROS-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
N,2-dimethyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80886717
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
4-N-propyl-6-thiophen-2-ylsulfanylpyrimidine-2,4-diamine
CID 80887611
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107785381
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
5-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80972938
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
CID 80979775
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80963401

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine (CID 80979287) is (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine is CC(C)(C)c1nc(NN)cc(Sc2cccs2)n1.
What is the InChIKey of (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is NXDURZVFKXTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-12(2,3)11-14-8(16-13)7-9(15-11)18-10-5-4-6-17-10/h4-7H,13H2,1-3H3,(H,14,15,16).
What are the key properties of (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine?
(2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 280.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-thiophen-2-ylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).