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

C14H22N4O4 — CID 7059854

IUPAC1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCCN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C14H22N4O4/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-4-3-5-18-6-8-22-9-7-18/h10-11H,3-9H2,1-2H3/b15-10+
InChIKeyDCPFNEZETUPUOD-XNTDXEJSSA-N
MW310.35 g/mol
LogP-0.55
Rot. Bonds5

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

1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7059854) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7059854
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCCN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C14H22N4O4/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-4-3-5-18-6-8-22-9-7-18/h10-11H,3-9H2,1-2H3/b15-10+
InChIKeyDCPFNEZETUPUOD-XNTDXEJSSA-N
XLogP-0.55
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
1,3-Dimethyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6997914
1,3-Dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6997915
1,3-Dimethyl-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7059853
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
(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
5-(2-Morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367872
(5S)-1-hexyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367889
1,3-Dimethyl-5-(2-morpholin-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7367912

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7059854) is 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/CCCN2CCOCC2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DCPFNEZETUPUOD-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-16-12(19)11(13(20)17(2)14(16)21)10-15-4-3-5-18-6-8-22-9-7-18/h10-11H,3-9H2,1-2H3/b15-10+.
What are the key properties of 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 310.35 g/mol, XLogP of -0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-morpholin-4-ylpropyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7059854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).