3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione

C11H15N5O2S — CID 61296236

IUPAC3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nc(N)cc(N)n2)C1=O
InChIInChI=1S/C11H15N5O2S/c1-2-3-16-9(17)4-6(10(16)18)19-11-14-7(12)5-8(13)15-11/h5-6H,2-4H2,1H3,(H4,12,13,14,15)
InChIKeySAUHGDUQMYAPSL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.27
Rot. Bonds4

About 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione

3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione (PubChem CID 61296236) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione
PubChem CID61296236
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Sc2nc(N)cc(N)n2)C1=O
InChIInChI=1S/C11H15N5O2S/c1-2-3-16-9(17)4-6(10(16)18)19-11-14-7(12)5-8(13)15-11/h5-6H,2-4H2,1H3,(H4,12,13,14,15)
InChIKeySAUHGDUQMYAPSL-UHFFFAOYSA-N
XLogP0.27
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione (CID 61296236) is 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(Sc2nc(N)cc(N)n2)C1=O.
What is the InChIKey of 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione?
The InChIKey is SAUHGDUQMYAPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-3-16-9(17)4-6(10(16)18)19-11-14-7(12)5-8(13)15-11/h5-6H,2-4H2,1H3,(H4,12,13,14,15).
What are the key properties of 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione?
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione has a molecular weight of 281.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 61296236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).