1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione

C16H19ClN4O3 — CID 7368322

IUPAC1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,22,24)/b18-10+
InChIKeyZUYXYMLWRNEOHF-VCHYOVAHSA-N
MW350.81 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione

1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7368322) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID7368322
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O
InChIInChI=1S/C16H19ClN4O3/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,22,24)/b18-10+
InChIKeyZUYXYMLWRNEOHF-VCHYOVAHSA-N
XLogP1.56
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-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 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione (CID 7368322) is 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione is CN(C)CCC/N=C/C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZUYXYMLWRNEOHF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-20(2)9-5-8-18-10-11-14(22)19-16(24)21(15(11)23)13-7-4-3-6-12(13)17/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,19,22,24)/b18-10+.
What are the key properties of 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 350.81 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).