[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C11H16N6S — CID 107785381

IUPAC[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncc[nH]2)n1
InChIInChI=1S/C11H16N6S/c1-11(2,3)9-15-7(17-12)6-8(16-9)18-10-13-4-5-14-10/h4-6H,12H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyFILQFJFYWIYUNM-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.93
Rot. Bonds3

About [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 107785381) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID107785381
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncc[nH]2)n1
InChIInChI=1S/C11H16N6S/c1-11(2,3)9-15-7(17-12)6-8(16-9)18-10-13-4-5-14-10/h4-6H,12H2,1-3H3,(H,13,14)(H,15,16,17)
InChIKeyFILQFJFYWIYUNM-UHFFFAOYSA-N
XLogP1.93
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 107785381) is [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Sc2ncc[nH]2)n1.
What is the InChIKey of [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is FILQFJFYWIYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-11(2,3)9-15-7(17-12)6-8(16-9)18-10-13-4-5-14-10/h4-6H,12H2,1-3H3,(H,13,14)(H,15,16,17).
What are the key properties of [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107785381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).