5-iodo-1-methyl-1,3-diazinane-2,4-dione

C5H7IN2O2 — CID 78200114

IUPAC5-iodo-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CC(I)C(=O)NC1=O
InChIInChI=1S/C5H7IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h3H,2H2,1H3,(H,7,9,10)
InChIKeyNXQCCMZCSQDFIA-UHFFFAOYSA-N
MW254.03 g/mol
LogP-0.03
Rot. Bonds

About 5-iodo-1-methyl-1,3-diazinane-2,4-dione

5-iodo-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 78200114) has the molecular formula C5H7IN2O2 and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-iodo-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-methyl-1,3-diazinane-2,4-dione
PubChem CID78200114
Molecular FormulaC5H7IN2O2
Molecular Weight254.03 g/mol
Exact Mass253.96
IUPAC Name5-iodo-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CC(I)C(=O)NC1=O
InChIInChI=1S/C5H7IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h3H,2H2,1H3,(H,7,9,10)
InChIKeyNXQCCMZCSQDFIA-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-1-methyl-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

Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
5-(2-aminopropyl)-1-methyl-1,3-diazinane-2,4-dione
CID 135127054
3-iodo-5-methylpiperidine-2,6-dione
CID 170011464
5-iodo-1,3-diazinane-2,4-dione
CID 1283
1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
3,4-diiodopyrrolidine-2,5-dione
CID 67657284
5-iodo-1-methylimidazolidin-2-one
CID 149054105
1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 90179114
1-butyl-5-methyl-1,3-diazinane-2,4-dione
CID 78199091
ethane;4-(hydroxymethyl)-1-methylimidazolidin-2-one
CID 170608937
(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 22823002

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-iodo-1-methyl-1,3-diazinane-2,4-dione (CID 78200114) is 5-iodo-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-iodo-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-iodo-1-methyl-1,3-diazinane-2,4-dione is CN1CC(I)C(=O)NC1=O.
What is the InChIKey of 5-iodo-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is NXQCCMZCSQDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O2/c1-8-2-3(6)4(9)7-5(8)10/h3H,2H2,1H3,(H,7,9,10).
What are the key properties of 5-iodo-1-methyl-1,3-diazinane-2,4-dione?
5-iodo-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 254.03 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78200114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).