5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

C20H21N3O4 — CID 3148850

IUPAC5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-2-27-16-5-3-15(4-6-16)13-20(10-7-14-8-11-21-12-9-14)17(24)22-19(26)23-18(20)25/h3-6,8-9,11-12H,2,7,10,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyVEOSRTGLJAXXSO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.01
Rot. Bonds7

About 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3148850) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID3148850
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C20H21N3O4/c1-2-27-16-5-3-15(4-6-16)13-20(10-7-14-8-11-21-12-9-14)17(24)22-19(26)23-18(20)25/h3-6,8-9,11-12H,2,7,10,13H2,1H3,(H2,22,23,24,25,26)
InChIKeyVEOSRTGLJAXXSO-UHFFFAOYSA-N
XLogP2.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-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 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (CID 3148850) is 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is CCOc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is VEOSRTGLJAXXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-27-16-5-3-15(4-6-16)13-20(10-7-14-8-11-21-12-9-14)17(24)22-19(26)23-18(20)25/h3-6,8-9,11-12H,2,7,10,13H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 367.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3148850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).