2-fluoro-5-methyl-4-phenylsulfanylpyrimidine

C11H9FN2S — CID 164655213

IUPAC2-fluoro-5-methyl-4-phenylsulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1ccccc1
InChIInChI=1S/C11H9FN2S/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyDITCHODBVOXQKO-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.08
Rot. Bonds2

About 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine

2-fluoro-5-methyl-4-phenylsulfanylpyrimidine (PubChem CID 164655213) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-phenylsulfanylpyrimidine
PubChem CID164655213
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name2-fluoro-5-methyl-4-phenylsulfanylpyrimidine
SMILESCc1cnc(F)nc1Sc1ccccc1
InChIInChI=1S/C11H9FN2S/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyDITCHODBVOXQKO-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine?
The IUPAC name of 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine (CID 164655213) is 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine.
What is the SMILES notation for 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine?
The canonical SMILES for 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine is Cc1cnc(F)nc1Sc1ccccc1.
What is the InChIKey of 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine?
The InChIKey is DITCHODBVOXQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-8-7-13-11(12)14-10(8)15-9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine?
2-fluoro-5-methyl-4-phenylsulfanylpyrimidine has a molecular weight of 220.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-phenylsulfanylpyrimidine is sourced from PubChem (CID 164655213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).