2-methylsulfonyl-4-phenoxypyrimidine

C11H10N2O3S — CID 15405455

IUPAC2-methylsulfonyl-4-phenoxypyrimidine
SMILESCS(=O)(=O)c1nccc(Oc2ccccc2)n1
InChIInChI=1S/C11H10N2O3S/c1-17(14,15)11-12-8-7-10(13-11)16-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHRKNENHTYLIUGY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.67
Rot. Bonds3

About 2-methylsulfonyl-4-phenoxypyrimidine

2-methylsulfonyl-4-phenoxypyrimidine (PubChem CID 15405455) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenoxypyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenoxypyrimidine
PubChem CID15405455
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-methylsulfonyl-4-phenoxypyrimidine
SMILESCS(=O)(=O)c1nccc(Oc2ccccc2)n1
InChIInChI=1S/C11H10N2O3S/c1-17(14,15)11-12-8-7-10(13-11)16-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHRKNENHTYLIUGY-UHFFFAOYSA-N
XLogP1.67
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-phenoxypyrimidine?
The IUPAC name of 2-methylsulfonyl-4-phenoxypyrimidine (CID 15405455) is 2-methylsulfonyl-4-phenoxypyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-phenoxypyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-phenoxypyrimidine is CS(=O)(=O)c1nccc(Oc2ccccc2)n1.
What is the InChIKey of 2-methylsulfonyl-4-phenoxypyrimidine?
The InChIKey is HRKNENHTYLIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-17(14,15)11-12-8-7-10(13-11)16-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfonyl-4-phenoxypyrimidine?
2-methylsulfonyl-4-phenoxypyrimidine has a molecular weight of 250.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-phenoxypyrimidine is sourced from PubChem (CID 15405455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).