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

C11H17N7O2 — CID 80855576

IUPAC4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCN(CC)c1nc(N)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H17N7O2/c1-3-17(4-2)10-14-9(12)15-11(16-10)18-5-7(19)13-8(20)6-18/h3-6H2,1-2H3,(H,13,19,20)(H2,12,14,15,16)
InChIKeyGTRZTIPWXDKEJW-UHFFFAOYSA-N
MW279.30 g/mol
LogP-1.24
Rot. Bonds4

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

4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione (PubChem CID 80855576) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
PubChem CID80855576
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCN(CC)c1nc(N)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H17N7O2/c1-3-17(4-2)10-14-9(12)15-11(16-10)18-5-7(19)13-8(20)6-18/h3-6H2,1-2H3,(H,13,19,20)(H2,12,14,15,16)
InChIKeyGTRZTIPWXDKEJW-UHFFFAOYSA-N
XLogP-1.24
TPSA117.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-2-one
CID 80842578
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
6-(4,4-dimethylpiperidin-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80824382
4-N,4-N-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80804954
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855882
1-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674471
4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80832674
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80811437
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione (CID 80855576) is 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione is CCN(CC)c1nc(N)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The InChIKey is GTRZTIPWXDKEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-3-17(4-2)10-14-9(12)15-11(16-10)18-5-7(19)13-8(20)6-18/h3-6H2,1-2H3,(H,13,19,20)(H2,12,14,15,16).
What are the key properties of 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione?
4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione has a molecular weight of 279.30 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 80855576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).