5-fluoro-4-prop-2-enylsulfanylpyrimidine

C7H7FN2S — CID 70590512

IUPAC5-fluoro-4-prop-2-enylsulfanylpyrimidine
SMILESC=CCSc1ncncc1F
InChIInChI=1S/C7H7FN2S/c1-2-3-11-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2
InChIKeyZBGOLYLYYOTHBU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.89
Rot. Bonds3

About 5-fluoro-4-prop-2-enylsulfanylpyrimidine

5-fluoro-4-prop-2-enylsulfanylpyrimidine (PubChem CID 70590512) has the molecular formula C7H7FN2S and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-fluoro-4-prop-2-enylsulfanylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-prop-2-enylsulfanylpyrimidine
PubChem CID70590512
Molecular FormulaC7H7FN2S
Molecular Weight170.21 g/mol
Exact Mass170.03
IUPAC Name5-fluoro-4-prop-2-enylsulfanylpyrimidine
SMILESC=CCSc1ncncc1F
InChIInChI=1S/C7H7FN2S/c1-2-3-11-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2
InChIKeyZBGOLYLYYOTHBU-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-prop-2-enylsulfanylpyrimidine?
The IUPAC name of 5-fluoro-4-prop-2-enylsulfanylpyrimidine (CID 70590512) is 5-fluoro-4-prop-2-enylsulfanylpyrimidine.
What is the SMILES notation for 5-fluoro-4-prop-2-enylsulfanylpyrimidine?
The canonical SMILES for 5-fluoro-4-prop-2-enylsulfanylpyrimidine is C=CCSc1ncncc1F.
What is the InChIKey of 5-fluoro-4-prop-2-enylsulfanylpyrimidine?
The InChIKey is ZBGOLYLYYOTHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2S/c1-2-3-11-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2.
What are the key properties of 5-fluoro-4-prop-2-enylsulfanylpyrimidine?
5-fluoro-4-prop-2-enylsulfanylpyrimidine has a molecular weight of 170.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-prop-2-enylsulfanylpyrimidine is sourced from PubChem (CID 70590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).