5-ethyl-2-methylsulfonylpyrimidine

C7H10N2O2S — CID 58388729

IUPAC5-ethyl-2-methylsulfonylpyrimidine
SMILESCCc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H10N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h4-5H,3H2,1-2H3
InChIKeyBSWVMFUXQKKFTN-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.44
Rot. Bonds2

About 5-ethyl-2-methylsulfonylpyrimidine

5-ethyl-2-methylsulfonylpyrimidine (PubChem CID 58388729) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-ethyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methylsulfonylpyrimidine
PubChem CID58388729
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-ethyl-2-methylsulfonylpyrimidine
SMILESCCc1cnc(S(C)(=O)=O)nc1
InChIInChI=1S/C7H10N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h4-5H,3H2,1-2H3
InChIKeyBSWVMFUXQKKFTN-UHFFFAOYSA-N
XLogP0.44
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylsulfonylpyrimidine?
The IUPAC name of 5-ethyl-2-methylsulfonylpyrimidine (CID 58388729) is 5-ethyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 5-ethyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 5-ethyl-2-methylsulfonylpyrimidine is CCc1cnc(S(C)(=O)=O)nc1.
What is the InChIKey of 5-ethyl-2-methylsulfonylpyrimidine?
The InChIKey is BSWVMFUXQKKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-6-4-8-7(9-5-6)12(2,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methylsulfonylpyrimidine?
5-ethyl-2-methylsulfonylpyrimidine has a molecular weight of 186.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 58388729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).