[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine

C8H9FN6S — CID 80922510

IUPAC[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1ccnc1Sc1nc(NN)ncc1F
InChIInChI=1S/C8H9FN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14)
InChIKeyWEGHEHMARNDQNE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.79
Rot. Bonds3

About [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine

[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine (PubChem CID 80922510) has the molecular formula C8H9FN6S and a molecular weight of 240.27 g/mol. Its IUPAC name is [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
PubChem CID80922510
Molecular FormulaC8H9FN6S
Molecular Weight240.27 g/mol
Exact Mass240.06
IUPAC Name[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine
SMILESCn1ccnc1Sc1nc(NN)ncc1F
InChIInChI=1S/C8H9FN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14)
InChIKeyWEGHEHMARNDQNE-UHFFFAOYSA-N
XLogP0.79
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine (CID 80922510) is [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine is Cn1ccnc1Sc1nc(NN)ncc1F.
What is the InChIKey of [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
The InChIKey is WEGHEHMARNDQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6S/c1-15-3-2-11-8(15)16-6-5(9)4-12-7(13-6)14-10/h2-4H,10H2,1H3,(H,12,13,14).
What are the key properties of [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine?
[5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine has a molecular weight of 240.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).