(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine

C12H16N4S — CID 62252923

IUPAC(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccsc2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-6-10(16-13)15-11(14-9)8-4-5-17-7-8/h4-7H,13H2,1-3H3,(H,14,15,16)
InChIKeyYCGSJNSOIVZWTM-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.79
Rot. Bonds2

About (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine

(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine (PubChem CID 62252923) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
PubChem CID62252923
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2ccsc2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-6-10(16-13)15-11(14-9)8-4-5-17-7-8/h4-7H,13H2,1-3H3,(H,14,15,16)
InChIKeyYCGSJNSOIVZWTM-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine?
The IUPAC name of (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine (CID 62252923) is (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine is CC(C)(C)c1cc(NN)nc(-c2ccsc2)n1.
What is the InChIKey of (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine?
The InChIKey is YCGSJNSOIVZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-12(2,3)9-6-10(16-13)15-11(14-9)8-4-5-17-7-8/h4-7H,13H2,1-3H3,(H,14,15,16).
What are the key properties of (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine?
(6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine has a molecular weight of 248.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-2-thiophen-3-ylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 62252923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).