[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

C11H15N5OS — CID 106928804

IUPAC[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncco2)n1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)9-14-7(16-12)6-8(15-9)18-10-13-4-5-17-10/h4-6H,12H2,1-3H3,(H,14,15,16)
InChIKeyPPIUVRDCYNQONB-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.20
Rot. Bonds3

About [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (PubChem CID 106928804) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
PubChem CID106928804
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Sc2ncco2)n1
InChIInChI=1S/C11H15N5OS/c1-11(2,3)9-14-7(16-12)6-8(15-9)18-10-13-4-5-17-10/h4-6H,12H2,1-3H3,(H,14,15,16)
InChIKeyPPIUVRDCYNQONB-UHFFFAOYSA-N
XLogP2.20
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine (CID 106928804) is [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Sc2ncco2)n1.
What is the InChIKey of [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
The InChIKey is PPIUVRDCYNQONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,3)9-14-7(16-12)6-8(15-9)18-10-13-4-5-17-10/h4-6H,12H2,1-3H3,(H,14,15,16).
What are the key properties of [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine has a molecular weight of 265.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106928804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).