4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine

C14H22N4O4S — CID 53185899

IUPAC4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
SMILESCCS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H22N4O4S/c1-2-23(19,20)18-4-3-12(10-18)22-14-9-13(15-11-16-14)17-5-7-21-8-6-17/h9,11-12H,2-8,10H2,1H3
InChIKeyYFANZPWBQWPFHC-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.12
Rot. Bonds5

About 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine

4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine (PubChem CID 53185899) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
PubChem CID53185899
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
SMILESCCS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C14H22N4O4S/c1-2-23(19,20)18-4-3-12(10-18)22-14-9-13(15-11-16-14)17-5-7-21-8-6-17/h9,11-12H,2-8,10H2,1H3
InChIKeyYFANZPWBQWPFHC-UHFFFAOYSA-N
XLogP0.12
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine (CID 53185899) is 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine is CCS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The InChIKey is YFANZPWBQWPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-2-23(19,20)18-4-3-12(10-18)22-14-9-13(15-11-16-14)17-5-7-21-8-6-17/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine has a molecular weight of 342.42 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-ethylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 53185899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).