5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione

C6H7Cl3N2O3 — CID 117060351

IUPAC5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione
SMILESCOC1(CCl)NC(=O)NC(=O)C1(Cl)Cl
InChIInChI=1S/C6H7Cl3N2O3/c1-14-5(2-7)6(8,9)3(12)10-4(13)11-5/h2H2,1H3,(H2,10,11,12,13)
InChIKeyNZXYVWWWTSJADA-UHFFFAOYSA-N
MW261.49 g/mol
LogP0.58
Rot. Bonds2

About 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione

5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione (PubChem CID 117060351) has the molecular formula C6H7Cl3N2O3 and a molecular weight of 261.49 g/mol. Its IUPAC name is 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione
PubChem CID117060351
Molecular FormulaC6H7Cl3N2O3
Molecular Weight261.49 g/mol
Exact Mass259.95
IUPAC Name5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione
SMILESCOC1(CCl)NC(=O)NC(=O)C1(Cl)Cl
InChIInChI=1S/C6H7Cl3N2O3/c1-14-5(2-7)6(8,9)3(12)10-4(13)11-5/h2H2,1H3,(H2,10,11,12,13)
InChIKeyNZXYVWWWTSJADA-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.49
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
CID 119096804
5,5-dichloro-1,3-diazinane-2,4,6-trione
CID 139195992
5-bromo-6-methoxy-6-methyl-5-nitro-1,3-diazinane-2,4-dione
CID 134612917
5-[(3,4-dichlorophenoxy)methyl]-5-methylimidazolidine-2,4-dione
CID 59710477
(5R)-5-ethyl-5-propan-2-ylimidazolidine-2,4-dione
CID 51382710
5,5-diacetylimidazolidine-2,4-dione
CID 67695660
(5R)-5-cyclohexyl-5-ethylimidazolidine-2,4-dione
CID 92532345
5-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 19847219
(5R)-5-methyl-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59710540
5-(aminomethyl)-5-(2-chloro-4-methoxyphenyl)imidazolidine-2,4-dione
CID 82305717
methyl (5S,8S)-7-ethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxylate
CID 139615178

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione (CID 117060351) is 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione is COC1(CCl)NC(=O)NC(=O)C1(Cl)Cl.
What is the InChIKey of 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione?
The InChIKey is NZXYVWWWTSJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3N2O3/c1-14-5(2-7)6(8,9)3(12)10-4(13)11-5/h2H2,1H3,(H2,10,11,12,13).
What are the key properties of 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione?
5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione has a molecular weight of 261.49 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione is sourced from PubChem (CID 117060351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).