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

C15H24N4O4 — CID 7367745

IUPAC(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/b16-11+/t12-/m1/s1
InChIKeyYXZCUDGNDPNJNB-PILJQMSFSA-N
MW324.38 g/mol
LogP-0.12
Rot. Bonds7

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

(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7367745) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7367745
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/b16-11+/t12-/m1/s1
InChIKeyYXZCUDGNDPNJNB-PILJQMSFSA-N
XLogP-0.12
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-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

Frequently Asked Questions

What is the IUPAC name of (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7367745) is (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is CCCCN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O.
What is the InChIKey of (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YXZCUDGNDPNJNB-PILJQMSFSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11-12H,2-10H2,1H3,(H,17,20,22)/b16-11+/t12-/m1/s1.
What are the key properties of (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
(5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 324.38 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-butyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).