4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine

C15H17FN2O4S — CID 58414505

IUPAC4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C
InChIInChI=1S/C15H17FN2O4S/c1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20/h5-9H,1-4H3
InChIKeyZQBTWCLVUKAGSI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds5

About 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine

4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine (PubChem CID 58414505) has the molecular formula C15H17FN2O4S and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine
PubChem CID58414505
Molecular FormulaC15H17FN2O4S
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C
InChIInChI=1S/C15H17FN2O4S/c1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20/h5-9H,1-4H3
InChIKeyZQBTWCLVUKAGSI-UHFFFAOYSA-N
XLogP2.91
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine (CID 58414505) is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine is Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.
What is the InChIKey of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is ZQBTWCLVUKAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4S/c1-9(2)21-14-10(3)15(18-8-17-14)22-13-6-5-11(7-12(13)16)23(4,19)20/h5-9H,1-4H3.
What are the key properties of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine?
4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 340.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 58414505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).