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

C13H22N4S — CID 80979775

IUPAC(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SC2CCCC2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)12-15-10(17-14)8-11(16-12)18-9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyQAYOWYXNSFKBNV-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.09
Rot. Bonds3

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

(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine (PubChem CID 80979775) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
PubChem CID80979775
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(SC2CCCC2)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)12-15-10(17-14)8-11(16-12)18-9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyQAYOWYXNSFKBNV-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.09
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'}

Analyze (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
[6-cyclohexylsulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721404
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
[2-methyl-6-(3-methylcyclohexyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80929333
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
2-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928804
[2-tert-butyl-6-(2-methylsulfonylethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979482
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107785381

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine (CID 80979775) is (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine is CC(C)(C)c1nc(NN)cc(SC2CCCC2)n1.
What is the InChIKey of (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine?
The InChIKey is QAYOWYXNSFKBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-13(2,3)12-15-10(17-14)8-11(16-12)18-9-6-4-5-7-9/h8-9H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine?
(2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine has a molecular weight of 266.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-cyclopentylsulfanylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).