2-fluoro-2-methylsulfanyl-1H-pyrimidine

C5H7FN2S — CID 70385169

IUPAC2-fluoro-2-methylsulfanyl-1H-pyrimidine
SMILESCSC1(F)N=CC=CN1
InChIInChI=1S/C5H7FN2S/c1-9-5(6)7-3-2-4-8-5/h2-4,7H,1H3
InChIKeyWCEGMXXSEHMNHG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.12
Rot. Bonds1

About 2-fluoro-2-methylsulfanyl-1H-pyrimidine

2-fluoro-2-methylsulfanyl-1H-pyrimidine (PubChem CID 70385169) has the molecular formula C5H7FN2S and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-fluoro-2-methylsulfanyl-1H-pyrimidine.

Molecular Properties

Compound Name2-fluoro-2-methylsulfanyl-1H-pyrimidine
PubChem CID70385169
Molecular FormulaC5H7FN2S
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name2-fluoro-2-methylsulfanyl-1H-pyrimidine
SMILESCSC1(F)N=CC=CN1
InChIInChI=1S/C5H7FN2S/c1-9-5(6)7-3-2-4-8-5/h2-4,7H,1H3
InChIKeyWCEGMXXSEHMNHG-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylsulfanyl-1H-pyrimidine?
The IUPAC name of 2-fluoro-2-methylsulfanyl-1H-pyrimidine (CID 70385169) is 2-fluoro-2-methylsulfanyl-1H-pyrimidine.
What is the SMILES notation for 2-fluoro-2-methylsulfanyl-1H-pyrimidine?
The canonical SMILES for 2-fluoro-2-methylsulfanyl-1H-pyrimidine is CSC1(F)N=CC=CN1.
What is the InChIKey of 2-fluoro-2-methylsulfanyl-1H-pyrimidine?
The InChIKey is WCEGMXXSEHMNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2S/c1-9-5(6)7-3-2-4-8-5/h2-4,7H,1H3.
What are the key properties of 2-fluoro-2-methylsulfanyl-1H-pyrimidine?
2-fluoro-2-methylsulfanyl-1H-pyrimidine has a molecular weight of 146.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylsulfanyl-1H-pyrimidine is sourced from PubChem (CID 70385169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).