3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione

C8H14N4O2 — CID 140537498

IUPAC3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)N(CCN(C)C)C(=O)N1
InChIInChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(13)5-6(9)10-8(12)14/h3-5H2,1-2H3,(H2,9,10,14)
InChIKeyGZJJLMPDHBVETB-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.53
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione

3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione (PubChem CID 140537498) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
PubChem CID140537498
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\CC(=O)N(CCN(C)C)C(=O)N1
InChIInChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(13)5-6(9)10-8(12)14/h3-5H2,1-2H3,(H2,9,10,14)
InChIKeyGZJJLMPDHBVETB-UHFFFAOYSA-N
XLogP-0.53
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione 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 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione (CID 140537498) is 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione is [H]/N=C1\CC(=O)N(CCN(C)C)C(=O)N1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione?
The InChIKey is GZJJLMPDHBVETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(13)5-6(9)10-8(12)14/h3-5H2,1-2H3,(H2,9,10,14).
What are the key properties of 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione?
3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 140537498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).