5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione

C19H26N4O5 — CID 6997923

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C19H26N4O5/c1-5-22(6-2)10-9-20-12-14-17(24)21-19(26)23(18(14)25)15-11-13(27-3)7-8-16(15)28-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,21,24,26)/b20-12+
InChIKeyXSHXEHNEMZKSTF-UDWIEESQSA-N
MW390.44 g/mol
LogP1.32
Rot. Bonds9

About 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione

5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 6997923) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID6997923
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C19H26N4O5/c1-5-22(6-2)10-9-20-12-14-17(24)21-19(26)23(18(14)25)15-11-13(27-3)7-8-16(15)28-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,21,24,26)/b20-12+
InChIKeyXSHXEHNEMZKSTF-UDWIEESQSA-N
XLogP1.32
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 6997923) is 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione is CCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is XSHXEHNEMZKSTF-UDWIEESQSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-5-22(6-2)10-9-20-12-14-17(24)21-19(26)23(18(14)25)15-11-13(27-3)7-8-16(15)28-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3,(H,21,24,26)/b20-12+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione?
5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 390.44 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1-(2,5-dimethoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6997923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).