4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine

C9H11FN2O4S — CID 168867290

IUPAC4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(O[C@H]2COC[C@H]2F)n1
InChIInChI=1S/C9H11FN2O4S/c1-17(13,14)9-11-3-2-8(12-9)16-7-5-15-4-6(7)10/h2-3,6-7H,4-5H2,1H3/t6-,7+/m1/s1
InChIKeyPAEQEDVOQIOBBT-RQJHMYQMSA-N
MW262.26 g/mol
LogP-0.00
Rot. Bonds3

About 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine

4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine (PubChem CID 168867290) has the molecular formula C9H11FN2O4S and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine
PubChem CID168867290
Molecular FormulaC9H11FN2O4S
Molecular Weight262.26 g/mol
Exact Mass262.04
IUPAC Name4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(O[C@H]2COC[C@H]2F)n1
InChIInChI=1S/C9H11FN2O4S/c1-17(13,14)9-11-3-2-8(12-9)16-7-5-15-4-6(7)10/h2-3,6-7H,4-5H2,1H3/t6-,7+/m1/s1
InChIKeyPAEQEDVOQIOBBT-RQJHMYQMSA-N
XLogP-0.00
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine?
The IUPAC name of 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine (CID 168867290) is 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nccc(O[C@H]2COC[C@H]2F)n1.
What is the InChIKey of 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine?
The InChIKey is PAEQEDVOQIOBBT-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H11FN2O4S/c1-17(13,14)9-11-3-2-8(12-9)16-7-5-15-4-6(7)10/h2-3,6-7H,4-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine?
4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine has a molecular weight of 262.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfonylpyrimidine is sourced from PubChem (CID 168867290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).