5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C12H19N4O4+ — CID 7461887

IUPAC5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h9H,2-7H2,1H3,(H2,14,15,17,18,19)/p+1/b13-8+
InChIKeyQRXMNMADDDMDJA-MDWZMJQESA-O
MW283.31 g/mol
LogP-2.66
Rot. Bonds4

About 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461887) has the molecular formula C12H19N4O4+ and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461887
Molecular FormulaC12H19N4O4+
Molecular Weight283.31 g/mol
Exact Mass283.14
IUPAC Name5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h9H,2-7H2,1H3,(H2,14,15,17,18,19)/p+1/b13-8+
InChIKeyQRXMNMADDDMDJA-MDWZMJQESA-O
XLogP-2.66
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-2.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474555
(4R)-2-(4-methoxyphenyl)-5-methyl-4-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-4H-pyrazol-3-one
CID 11898541
(5R)-1-butyl-5-[C-ethyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7474488
(5S)-1-(2-methylphenyl)-5-[C-methyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7506316
(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367744
5-acetyl-1,3-diazinane-2,4,6-trione
CID 598441
(5S)-1-[(2R)-butan-2-yl]-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7474444
1,3-dimethyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7367911
2-morpholin-4-ium-4-ylethyl-[1-[(5R)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium
CID 6995892
5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-2,6-dioxo-3-prop-2-enylpyrimidin-4-olate
CID 4918838
3-benzyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-2,6-dioxopyrimidin-4-olate
CID 4919333
3-butan-2-yl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate
CID 4978872

Frequently Asked Questions

What is the IUPAC name of 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461887) is 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is QRXMNMADDDMDJA-MDWZMJQESA-O. The full InChI is InChI=1S/C12H18N4O4/c1-8(9-10(17)14-12(19)15-11(9)18)13-2-3-16-4-6-20-7-5-16/h9H,2-7H2,1H3,(H2,14,15,17,18,19)/p+1/b13-8+.
What are the key properties of 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 283.31 g/mol, XLogP of -2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).