3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

C11H12N8O2 — CID 80831736

IUPAC3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(N)nc(-n3ccnc3)n2)C1=O
InChIInChI=1S/C11H12N8O2/c1-18-7(20)4-6(8(18)21)14-10-15-9(12)16-11(17-10)19-3-2-13-5-19/h2-3,5-6H,4H2,1H3,(H3,12,14,15,16,17)
InChIKeyIURNFGISHRPNSR-UHFFFAOYSA-N
MW288.27 g/mol
LogP-1.19
Rot. Bonds3

About 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 80831736) has the molecular formula C11H12N8O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID80831736
Molecular FormulaC11H12N8O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(N)nc(-n3ccnc3)n2)C1=O
InChIInChI=1S/C11H12N8O2/c1-18-7(20)4-6(8(18)21)14-10-15-9(12)16-11(17-10)19-3-2-13-5-19/h2-3,5-6H,4H2,1H3,(H3,12,14,15,16,17)
InChIKeyIURNFGISHRPNSR-UHFFFAOYSA-N
XLogP-1.19
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione with MolForge

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Related Compounds

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80818046
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 80831736) is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2nc(N)nc(-n3ccnc3)n2)C1=O.
What is the InChIKey of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is IURNFGISHRPNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O2/c1-18-7(20)4-6(8(18)21)14-10-15-9(12)16-11(17-10)19-3-2-13-5-19/h2-3,5-6H,4H2,1H3,(H3,12,14,15,16,17).
What are the key properties of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 288.27 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80831736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).