1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C13H20N4O4 — CID 6997915

IUPAC1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C13H20N4O4/c1-15-11(18)10(12(19)16(2)13(15)20)9-14-3-4-17-5-7-21-8-6-17/h9-10H,3-8H2,1-2H3/b14-9+
InChIKeyCRDXESJQMXZLNU-NTEUORMPSA-N
MW296.33 g/mol
LogP-0.94
Rot. Bonds4

About 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 6997915) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID6997915
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C13H20N4O4/c1-15-11(18)10(12(19)16(2)13(15)20)9-14-3-4-17-5-7-21-8-6-17/h9-10H,3-8H2,1-2H3/b14-9+
InChIKeyCRDXESJQMXZLNU-NTEUORMPSA-N
XLogP-0.94
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-5-methyl-3-(2-morpholin-4-ylethyl)-1,3-diazinane-2,4-dione
CID 72100499
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
2,6-Diethyl-4-(2-morpholin-4-ylethyliminomethyl)-1,2,6-thiadiazinane-3,5-dione
CID 57092831
1,3-Dimethyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6997914
1,3-Dimethyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7059853
1,3-Dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7059854
5-(3-Morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7348880
5-(3-Morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7348881
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365884
(5R)-1-butyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367744
(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367745
5-(2-Morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367871

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 6997915) is 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/CCN2CCOCC2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is CRDXESJQMXZLNU-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-15-11(18)10(12(19)16(2)13(15)20)9-14-3-4-17-5-7-21-8-6-17/h9-10H,3-8H2,1-2H3/b14-9+.
What are the key properties of 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 296.33 g/mol, XLogP of -0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6997915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).