2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine

C11H14FN3O3S — CID 119100426

IUPAC2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O3S/c12-8-5-13-11(14-6-8)18-9-3-4-15(7-9)19(16,17)10-1-2-10/h5-6,9-10H,1-4,7H2
InChIKeyIFOROCDOGSTRAH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.56
Rot. Bonds4

About 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine

2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine (PubChem CID 119100426) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine
PubChem CID119100426
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine
SMILESO=S(=O)(C1CC1)N1CCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O3S/c12-8-5-13-11(14-6-8)18-9-3-4-15(7-9)19(16,17)10-1-2-10/h5-6,9-10H,1-4,7H2
InChIKeyIFOROCDOGSTRAH-UHFFFAOYSA-N
XLogP0.56
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine (CID 119100426) is 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine is O=S(=O)(C1CC1)N1CCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine?
The InChIKey is IFOROCDOGSTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-8-5-13-11(14-6-8)18-9-3-4-15(7-9)19(16,17)10-1-2-10/h5-6,9-10H,1-4,7H2.
What are the key properties of 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine?
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine has a molecular weight of 287.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-5-fluoropyrimidine is sourced from PubChem (CID 119100426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).