1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione

C11H16N6O2S — CID 21488338

IUPAC1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
SMILESCCN(CC)c1nc(N)nc(SN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H16N6O2S/c1-3-16(4-2)10-13-9(12)14-11(15-10)20-17-7(18)5-6-8(17)19/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyQMDYJOSZIHENGA-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.46
Rot. Bonds5

About 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione

1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione (PubChem CID 21488338) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
PubChem CID21488338
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
SMILESCCN(CC)c1nc(N)nc(SN2C(=O)CCC2=O)n1
InChIInChI=1S/C11H16N6O2S/c1-3-16(4-2)10-13-9(12)14-11(15-10)20-17-7(18)5-6-8(17)19/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyQMDYJOSZIHENGA-UHFFFAOYSA-N
XLogP0.46
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione (CID 21488338) is 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione is CCN(CC)c1nc(N)nc(SN2C(=O)CCC2=O)n1.
What is the InChIKey of 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione?
The InChIKey is QMDYJOSZIHENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-3-16(4-2)10-13-9(12)14-11(15-10)20-17-7(18)5-6-8(17)19/h3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione?
1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione has a molecular weight of 296.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 21488338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).