[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine

C13H11FN4S — CID 91187004

IUPAC[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2sc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C13H11FN4S/c14-9-3-1-8(2-4-9)5-10-6-11-12(18-15)16-7-17-13(11)19-10/h1-4,6-7H,5,15H2,(H,16,17,18)
InChIKeyUHBUXDIDBICAIR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.71
Rot. Bonds3

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

[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 91187004) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID91187004
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1ncnc2sc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C13H11FN4S/c14-9-3-1-8(2-4-9)5-10-6-11-12(18-15)16-7-17-13(11)19-10/h1-4,6-7H,5,15H2,(H,16,17,18)
InChIKeyUHBUXDIDBICAIR-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.71
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-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 91187004) is [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1ncnc2sc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UHBUXDIDBICAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c14-9-3-1-8(2-4-9)5-10-6-11-12(18-15)16-7-17-13(11)19-10/h1-4,6-7H,5,15H2,(H,16,17,18).
What are the key properties of [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 274.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 91187004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).