3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol

C7H11FN4OS — CID 80926899

IUPAC3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESNNc1ncc(F)c(SCCCO)n1
InChIInChI=1S/C7H11FN4OS/c8-5-4-10-7(12-9)11-6(5)14-3-1-2-13/h4,13H,1-3,9H2,(H,10,11,12)
InChIKeyLWRUIRGBESFMBA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.38
Rot. Bonds5

About 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol

3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 80926899) has the molecular formula C7H11FN4OS and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID80926899
Molecular FormulaC7H11FN4OS
Molecular Weight218.26 g/mol
Exact Mass218.06
IUPAC Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESNNc1ncc(F)c(SCCCO)n1
InChIInChI=1S/C7H11FN4OS/c8-5-4-10-7(12-9)11-6(5)14-3-1-2-13/h4,13H,1-3,9H2,(H,10,11,12)
InChIKeyLWRUIRGBESFMBA-UHFFFAOYSA-N
XLogP0.38
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
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 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol 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 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol (CID 80926899) is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol is NNc1ncc(F)c(SCCCO)n1.
What is the InChIKey of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is LWRUIRGBESFMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4OS/c8-5-4-10-7(12-9)11-6(5)14-3-1-2-13/h4,13H,1-3,9H2,(H,10,11,12).
What are the key properties of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol?
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 80926899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).