[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

C13H13FN4S — CID 80979394

IUPAC[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H13FN4S/c14-9-2-1-3-10(6-9)19-12-7-11(18-15)16-13(17-12)8-4-5-8/h1-3,6-8H,4-5,15H2,(H,16,17,18)
InChIKeyIHJAHJKTWXUIHK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.93
Rot. Bonds4

About [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (PubChem CID 80979394) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
PubChem CID80979394
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C13H13FN4S/c14-9-2-1-3-10(6-9)19-12-7-11(18-15)16-13(17-12)8-4-5-8/h1-3,6-8H,4-5,15H2,(H,16,17,18)
InChIKeyIHJAHJKTWXUIHK-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine (CID 80979394) is [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is NNc1cc(Sc2cccc(F)c2)nc(C2CC2)n1.
What is the InChIKey of [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
The InChIKey is IHJAHJKTWXUIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c14-9-2-1-3-10(6-9)19-12-7-11(18-15)16-13(17-12)8-4-5-8/h1-3,6-8H,4-5,15H2,(H,16,17,18).
What are the key properties of [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine has a molecular weight of 276.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80979394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).