[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C12H11N5S — CID 70035835

IUPAC[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C12H11N5S/c13-17-11-10-6-9(18-12(10)16-7-15-11)5-8-3-1-2-4-14-8/h1-4,6-7H,5,13H2,(H,15,16,17)
InChIKeyHFHDWKXLELBJPY-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.96
Rot. Bonds3

About [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 70035835) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID70035835
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2sc(Cc3ccccn3)cc12
InChIInChI=1S/C12H11N5S/c13-17-11-10-6-9(18-12(10)16-7-15-11)5-8-3-1-2-4-14-8/h1-4,6-7H,5,13H2,(H,15,16,17)
InChIKeyHFHDWKXLELBJPY-UHFFFAOYSA-N
XLogP1.96
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 70035835) is [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1ncnc2sc(Cc3ccccn3)cc12.
What is the InChIKey of [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is HFHDWKXLELBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-17-11-10-6-9(18-12(10)16-7-15-11)5-8-3-1-2-4-14-8/h1-4,6-7H,5,13H2,(H,15,16,17).
What are the key properties of [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 257.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 70035835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).