1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol

C13H22N4O3S — CID 115966968

IUPAC1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-5-14-13-15-7-12(8-16-13)21(19,20)17-6-4-11(9-17)10(2)18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyGVQCSUSYDDSGBD-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.69
Rot. Bonds6

About 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol

1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115966968) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115966968
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol
SMILESCCCNc1ncc(S(=O)(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C13H22N4O3S/c1-3-5-14-13-15-7-12(8-16-13)21(19,20)17-6-4-11(9-17)10(2)18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyGVQCSUSYDDSGBD-UHFFFAOYSA-N
XLogP0.69
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
1-[1-(2-hydrazinylpyrimidin-5-yl)sulfonylpiperidin-4-yl]ethanol
CID 106836372
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62143329
1-[2-(ethylamino)pyrimidin-5-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102964418
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62164701
1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
CID 112627675
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol (CID 115966968) is 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol is CCCNc1ncc(S(=O)(=O)N2CCC(C(C)O)C2)cn1.
What is the InChIKey of 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is GVQCSUSYDDSGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-5-14-13-15-7-12(8-16-13)21(19,20)17-6-4-11(9-17)10(2)18/h7-8,10-11,18H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol?
1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 314.41 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(propylamino)pyrimidin-5-yl]sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).