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

C13H20N4O4S — CID 53185898

IUPAC4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C13H20N4O4S/c1-22(18,19)17-3-2-11(9-17)21-13-8-12(14-10-15-13)16-4-6-20-7-5-16/h8,10-11H,2-7,9H2,1H3
InChIKeyNLMSURHYEWKNNZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.27
Rot. Bonds4

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

4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine (PubChem CID 53185898) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
PubChem CID53185898
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C13H20N4O4S/c1-22(18,19)17-3-2-11(9-17)21-13-8-12(14-10-15-13)16-4-6-20-7-5-16/h8,10-11H,2-7,9H2,1H3
InChIKeyNLMSURHYEWKNNZ-UHFFFAOYSA-N
XLogP-0.27
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine (CID 53185898) is 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine is CS(=O)(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
The InChIKey is NLMSURHYEWKNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-22(18,19)17-3-2-11(9-17)21-13-8-12(14-10-15-13)16-4-6-20-7-5-16/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine?
4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine has a molecular weight of 328.39 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylsulfonylpyrrolidin-3-yl)oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 53185898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).