[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C11H13F3N4OS — CID 82791579

IUPAC[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCCCC(F)(F)F)nc2sccc12
InChIInChI=1S/C11H13F3N4OS/c12-11(13,14)3-1-4-19-6-8-16-9(18-15)7-2-5-20-10(7)17-8/h2,5H,1,3-4,6,15H2,(H,16,17,18)
InChIKeyJBCISXDWULLECQ-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.84
Rot. Bonds6

About [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 82791579) has the molecular formula C11H13F3N4OS and a molecular weight of 306.31 g/mol. Its IUPAC name is [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID82791579
Molecular FormulaC11H13F3N4OS
Molecular Weight306.31 g/mol
Exact Mass306.08
IUPAC Name[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(COCCCC(F)(F)F)nc2sccc12
InChIInChI=1S/C11H13F3N4OS/c12-11(13,14)3-1-4-19-6-8-16-9(18-15)7-2-5-20-10(7)17-8/h2,5H,1,3-4,6,15H2,(H,16,17,18)
InChIKeyJBCISXDWULLECQ-UHFFFAOYSA-N
XLogP2.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 82791579) is [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(COCCCC(F)(F)F)nc2sccc12.
What is the InChIKey of [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is JBCISXDWULLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4OS/c12-11(13,14)3-1-4-19-6-8-16-9(18-15)7-2-5-20-10(7)17-8/h2,5H,1,3-4,6,15H2,(H,16,17,18).
What are the key properties of [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 306.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82791579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).