4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine

C12H11FN2OS — CID 118974238

IUPAC4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine
SMILESCSc1cc(Oc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C12H11FN2OS/c1-8-14-11(7-12(15-8)17-2)16-10-5-3-4-9(13)6-10/h3-7H,1-2H3
InChIKeyBFXJUGCXWPLZMF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.44
Rot. Bonds3

About 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine

4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine (PubChem CID 118974238) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine
PubChem CID118974238
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine
SMILESCSc1cc(Oc2cccc(F)c2)nc(C)n1
InChIInChI=1S/C12H11FN2OS/c1-8-14-11(7-12(15-8)17-2)16-10-5-3-4-9(13)6-10/h3-7H,1-2H3
InChIKeyBFXJUGCXWPLZMF-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine?
The IUPAC name of 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine (CID 118974238) is 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine is CSc1cc(Oc2cccc(F)c2)nc(C)n1.
What is the InChIKey of 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine?
The InChIKey is BFXJUGCXWPLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-14-11(7-12(15-8)17-2)16-10-5-3-4-9(13)6-10/h3-7H,1-2H3.
What are the key properties of 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine?
4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine has a molecular weight of 250.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-2-methyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 118974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).