5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

C13H22N4O2S — CID 62164701

IUPAC5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCCC2CC)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-13-15-9-12(10-16-13)20(18,19)17-8-5-6-11(17)4-2/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBPFTYPSZCACATJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds6

About 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine

5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (PubChem CID 62164701) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
PubChem CID62164701
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(S(=O)(=O)N2CCCC2CC)cn1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-13-15-9-12(10-16-13)20(18,19)17-8-5-6-11(17)4-2/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBPFTYPSZCACATJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62164699
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056
[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62143329
1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
CID 115966968
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
N-ethyl-5-(2-ethylpiperidin-1-yl)sulfonylpyridin-3-amine
CID 82223007
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62148028

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine (CID 62164701) is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is CCCNc1ncc(S(=O)(=O)N2CCCC2CC)cn1.
What is the InChIKey of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
The InChIKey is BPFTYPSZCACATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-7-14-13-15-9-12(10-16-13)20(18,19)17-8-5-6-11(17)4-2/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine?
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 62164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).