4-cyclopropyl-2-methylsulfonylpyrimidine

C8H10N2O2S — CID 83880313

IUPAC4-cyclopropyl-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(C2CC2)n1
InChIInChI=1S/C8H10N2O2S/c1-13(11,12)8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyJJDDZJDVXMZCNQ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.76
Rot. Bonds2

About 4-cyclopropyl-2-methylsulfonylpyrimidine

4-cyclopropyl-2-methylsulfonylpyrimidine (PubChem CID 83880313) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 4-cyclopropyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-methylsulfonylpyrimidine
PubChem CID83880313
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name4-cyclopropyl-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(C2CC2)n1
InChIInChI=1S/C8H10N2O2S/c1-13(11,12)8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3
InChIKeyJJDDZJDVXMZCNQ-UHFFFAOYSA-N
XLogP0.76
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-cyclopropyl-2-methylsulfonylpyrimidine (CID 83880313) is 4-cyclopropyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-cyclopropyl-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nccc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-methylsulfonylpyrimidine?
The InChIKey is JJDDZJDVXMZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-13(11,12)8-9-5-4-7(10-8)6-2-3-6/h4-6H,2-3H2,1H3.
What are the key properties of 4-cyclopropyl-2-methylsulfonylpyrimidine?
4-cyclopropyl-2-methylsulfonylpyrimidine has a molecular weight of 198.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 83880313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).