3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol

C7H11FN4O2S — CID 80926422

IUPAC3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESNNc1ncc(F)c(SCC(O)CO)n1
InChIInChI=1S/C7H11FN4O2S/c8-5-1-10-7(12-9)11-6(5)15-3-4(14)2-13/h1,4,13-14H,2-3,9H2,(H,10,11,12)
InChIKeyYBCHYYUEEZXXBB-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.65
Rot. Bonds5

About 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol

3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol (PubChem CID 80926422) has the molecular formula C7H11FN4O2S and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
PubChem CID80926422
Molecular FormulaC7H11FN4O2S
Molecular Weight234.26 g/mol
Exact Mass234.06
IUPAC Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
SMILESNNc1ncc(F)c(SCC(O)CO)n1
InChIInChI=1S/C7H11FN4O2S/c8-5-1-10-7(12-9)11-6(5)15-3-4(14)2-13/h1,4,13-14H,2-3,9H2,(H,10,11,12)
InChIKeyYBCHYYUEEZXXBB-UHFFFAOYSA-N
XLogP-0.65
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol (CID 80926422) is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol is NNc1ncc(F)c(SCC(O)CO)n1.
What is the InChIKey of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
The InChIKey is YBCHYYUEEZXXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2S/c8-5-1-10-7(12-9)11-6(5)15-3-4(14)2-13/h1,4,13-14H,2-3,9H2,(H,10,11,12).
What are the key properties of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol?
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol has a molecular weight of 234.26 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80926422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).