4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine

C14H22N4O3S — CID 110250316

IUPAC4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O3S/c1-11-10-12(2)16-14(15-11)13-4-3-5-18(13)22(19,20)17-6-8-21-9-7-17/h10,13H,3-9H2,1-2H3
InChIKeyXQKWEQVLDOCHOY-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.81
Rot. Bonds3

About 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine

4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 110250316) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID110250316
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCc1cc(C)nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C14H22N4O3S/c1-11-10-12(2)16-14(15-11)13-4-3-5-18(13)22(19,20)17-6-8-21-9-7-17/h10,13H,3-9H2,1-2H3
InChIKeyXQKWEQVLDOCHOY-UHFFFAOYSA-N
XLogP0.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine (CID 110250316) is 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine is Cc1cc(C)nc(C2CCCN2S(=O)(=O)N2CCOCC2)n1.
What is the InChIKey of 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is XQKWEQVLDOCHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11-10-12(2)16-14(15-11)13-4-3-5-18(13)22(19,20)17-6-8-21-9-7-17/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine?
4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 326.42 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 110250316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).