4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine

C14H16N2O4S — CID 19690805

IUPAC4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine
SMILESCOc1cc(OCc2ccc(C)cc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)9-20-13-8-12(19-2)15-14(16-13)21(3,17)18/h4-8H,9H2,1-3H3
InChIKeyTXJPRLRVXOSDGD-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.78
Rot. Bonds5

About 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine

4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine (PubChem CID 19690805) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine
PubChem CID19690805
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine
SMILESCOc1cc(OCc2ccc(C)cc2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)9-20-13-8-12(19-2)15-14(16-13)21(3,17)18/h4-8H,9H2,1-3H3
InChIKeyTXJPRLRVXOSDGD-UHFFFAOYSA-N
XLogP1.78
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine?
The IUPAC name of 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine (CID 19690805) is 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine is COc1cc(OCc2ccc(C)cc2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine?
The InChIKey is TXJPRLRVXOSDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-4-6-11(7-5-10)9-20-13-8-12(19-2)15-14(16-13)21(3,17)18/h4-8H,9H2,1-3H3.
What are the key properties of 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine?
4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine has a molecular weight of 308.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(4-methylphenyl)methoxy]-2-methylsulfonylpyrimidine is sourced from PubChem (CID 19690805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).