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

C6H10N4OS — CID 80922325

IUPAC2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1nccc(SCCO)n1
InChIInChI=1S/C6H10N4OS/c7-10-6-8-2-1-5(9-6)12-4-3-11/h1-2,11H,3-4,7H2,(H,8,9,10)
InChIKeyRJVPEOASRQJNQE-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.15
Rot. Bonds4

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

2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol (PubChem CID 80922325) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol
PubChem CID80922325
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol
SMILESNNc1nccc(SCCO)n1
InChIInChI=1S/C6H10N4OS/c7-10-6-8-2-1-5(9-6)12-4-3-11/h1-2,11H,3-4,7H2,(H,8,9,10)
InChIKeyRJVPEOASRQJNQE-UHFFFAOYSA-N
XLogP-0.15
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.15
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-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol (CID 80922325) is 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol is NNc1nccc(SCCO)n1.
What is the InChIKey of 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is RJVPEOASRQJNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c7-10-6-8-2-1-5(9-6)12-4-3-11/h1-2,11H,3-4,7H2,(H,8,9,10).
What are the key properties of 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol?
2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 186.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80922325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).