2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol

C6H9FN4OS — CID 80922578

IUPAC2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C6H9FN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11)
InChIKeyIBONBXZBIBRSCJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.01
Rot. Bonds4

About 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol

2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol (PubChem CID 80922578) has the molecular formula C6H9FN4OS and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
PubChem CID80922578
Molecular FormulaC6H9FN4OS
Molecular Weight204.23 g/mol
Exact Mass204.05
IUPAC Name2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C6H9FN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11)
InChIKeyIBONBXZBIBRSCJ-UHFFFAOYSA-N
XLogP-0.01
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol (CID 80922578) is 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol is NNc1ncc(F)c(SCCO)n1.
What is the InChIKey of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is IBONBXZBIBRSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4OS/c7-4-3-9-6(11-8)10-5(4)13-2-1-12/h3,12H,1-2,8H2,(H,9,10,11).
What are the key properties of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 204.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80922578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).