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

C10H14N6O3 — CID 80855575

IUPAC4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCNc1nc(OC)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H14N6O3/c1-3-11-8-13-9(15-10(14-8)19-2)16-4-6(17)12-7(18)5-16/h3-5H2,1-2H3,(H,12,17,18)(H,11,13,14,15)
InChIKeyQRXFAODKQROXGU-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.23
Rot. Bonds4

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

4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione (PubChem CID 80855575) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
PubChem CID80855575
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
SMILESCCNc1nc(OC)nc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H14N6O3/c1-3-11-8-13-9(15-10(14-8)19-2)16-4-6(17)12-7(18)5-16/h3-5H2,1-2H3,(H,12,17,18)(H,11,13,14,15)
InChIKeyQRXFAODKQROXGU-UHFFFAOYSA-N
XLogP-1.23
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887838
1-[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80766965
4-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione
CID 80856196
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80780634
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80833952
[4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782717
1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperidine-3-carboxamide
CID 80757168
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80793176

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione (CID 80855575) is 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione is CCNc1nc(OC)nc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
The InChIKey is QRXFAODKQROXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-3-11-8-13-9(15-10(14-8)19-2)16-4-6(17)12-7(18)5-16/h3-5H2,1-2H3,(H,12,17,18)(H,11,13,14,15).
What are the key properties of 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione?
4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione has a molecular weight of 266.26 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 80855575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).