2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C8H7FN6OS — CID 80925879

IUPAC2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H7FN6OS/c9-4-3-12-7(15-10)14-6(4)17-8-11-2-1-5(16)13-8/h1-3H,10H2,(H,11,13,16)(H,12,14,15)
InChIKeyWULRHSCJVPGNGB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.14
Rot. Bonds3

About 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80925879) has the molecular formula C8H7FN6OS and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80925879
Molecular FormulaC8H7FN6OS
Molecular Weight254.25 g/mol
Exact Mass254.04
IUPAC Name2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESNNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H7FN6OS/c9-4-3-12-7(15-10)14-6(4)17-8-11-2-1-5(16)13-8/h1-3H,10H2,(H,11,13,16)(H,12,14,15)
InChIKeyWULRHSCJVPGNGB-UHFFFAOYSA-N
XLogP0.14
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
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 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80925879) is 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is NNc1ncc(F)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is WULRHSCJVPGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN6OS/c9-4-3-12-7(15-10)14-6(4)17-8-11-2-1-5(16)13-8/h1-3H,10H2,(H,11,13,16)(H,12,14,15).
What are the key properties of 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 254.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80925879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).