4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine

C13H20N4O3S — CID 110096219

IUPAC4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCc1nccc(C2CCCN2S(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C13H20N4O3S/c1-11-14-5-4-12(15-11)13-3-2-6-17(13)21(18,19)16-7-9-20-10-8-16/h4-5,13H,2-3,6-10H2,1H3
InChIKeyODCFWLHXAYABDF-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.50
Rot. Bonds3

About 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine

4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine (PubChem CID 110096219) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
PubChem CID110096219
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine
SMILESCc1nccc(C2CCCN2S(=O)(=O)N2CCOCC2)n1
InChIInChI=1S/C13H20N4O3S/c1-11-14-5-4-12(15-11)13-3-2-6-17(13)21(18,19)16-7-9-20-10-8-16/h4-5,13H,2-3,6-10H2,1H3
InChIKeyODCFWLHXAYABDF-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 110096218
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
4-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]sulfonylmorpholine
CID 124951171
N-methyl-4-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 124957346
N,N-dimethyl-1-[6-[(2R)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]-3-pyridinyl]methanamine
CID 125018998
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]sulfonylmorpholine
CID 110104420
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 124943452
2-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110269173
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine (CID 110096219) is 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine is Cc1nccc(C2CCCN2S(=O)(=O)N2CCOCC2)n1.
What is the InChIKey of 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine?
The InChIKey is ODCFWLHXAYABDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-11-14-5-4-12(15-11)13-3-2-6-17(13)21(18,19)16-7-9-20-10-8-16/h4-5,13H,2-3,6-10H2,1H3.
What are the key properties of 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine?
4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine has a molecular weight of 312.40 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 110096219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).