4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine

C11H16FN3O3S — CID 124892553

IUPAC4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESCCc1ncnc(O[C@H]2CCN(S(C)(=O)=O)C2)c1F
InChIInChI=1S/C11H16FN3O3S/c1-3-9-10(12)11(14-7-13-9)18-8-4-5-15(6-8)19(2,16)17/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySPLQCZUSNJOUNR-QMMMGPOBSA-N
MW289.33 g/mol
LogP0.59
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine

4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine (PubChem CID 124892553) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine
PubChem CID124892553
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESCCc1ncnc(O[C@H]2CCN(S(C)(=O)=O)C2)c1F
InChIInChI=1S/C11H16FN3O3S/c1-3-9-10(12)11(14-7-13-9)18-8-4-5-15(6-8)19(2,16)17/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySPLQCZUSNJOUNR-QMMMGPOBSA-N
XLogP0.59
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine (CID 124892553) is 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine is CCc1ncnc(O[C@H]2CCN(S(C)(=O)=O)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The InChIKey is SPLQCZUSNJOUNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-3-9-10(12)11(14-7-13-9)18-8-4-5-15(6-8)19(2,16)17/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine?
4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine has a molecular weight of 289.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 124892553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).