4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione

C11H15N7O3 — CID 80832674

IUPAC4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(N2CCOCC2)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H15N7O3/c12-9-14-10(17-1-3-21-4-2-17)16-11(15-9)18-5-7(19)13-8(20)6-18/h1-6H2,(H,13,19,20)(H2,12,14,15,16)
InChIKeyJXLLDFIOMUQKIW-UHFFFAOYSA-N
MW293.29 g/mol
LogP-2.25
Rot. Bonds2

About 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione

4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione (PubChem CID 80832674) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
PubChem CID80832674
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
SMILESNc1nc(N2CCOCC2)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H15N7O3/c12-9-14-10(17-1-3-21-4-2-17)16-11(15-9)18-5-7(19)13-8(20)6-18/h1-6H2,(H,13,19,20)(H2,12,14,15,16)
InChIKeyJXLLDFIOMUQKIW-UHFFFAOYSA-N
XLogP-2.25
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-2.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione with MolForge

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Related Compounds

4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855882
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80855576
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 27396187
4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80750111
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604
[1-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757087

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione (CID 80832674) is 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione is Nc1nc(N2CCOCC2)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
The InChIKey is JXLLDFIOMUQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c12-9-14-10(17-1-3-21-4-2-17)16-11(15-9)18-5-7(19)13-8(20)6-18/h1-6H2,(H,13,19,20)(H2,12,14,15,16).
What are the key properties of 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione?
4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione has a molecular weight of 293.29 g/mol, XLogP of -2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 80832674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).