2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine

C6H5F3N2O3S — CID 123850945

IUPAC2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine
SMILESCOc1nccc(S(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O3S/c1-14-5-10-3-2-4(11-5)15(12,13)6(7,8)9/h2-3H,1H3
InChIKeyQVWXAPKRAJZTDM-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.78
Rot. Bonds2

About 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine

2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine (PubChem CID 123850945) has the molecular formula C6H5F3N2O3S and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine
PubChem CID123850945
Molecular FormulaC6H5F3N2O3S
Molecular Weight242.18 g/mol
Exact Mass242.00
IUPAC Name2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine
SMILESCOc1nccc(S(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O3S/c1-14-5-10-3-2-4(11-5)15(12,13)6(7,8)9/h2-3H,1H3
InChIKeyQVWXAPKRAJZTDM-UHFFFAOYSA-N
XLogP0.78
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine?
The IUPAC name of 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine (CID 123850945) is 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine.
What is the SMILES notation for 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine?
The canonical SMILES for 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine is COc1nccc(S(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine?
The InChIKey is QVWXAPKRAJZTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3S/c1-14-5-10-3-2-4(11-5)15(12,13)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine?
2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine has a molecular weight of 242.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethylsulfonyl)pyrimidine is sourced from PubChem (CID 123850945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).