6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione

C5H8BrN3O2 — CID 76844825

IUPAC6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)C(Br)C1N
InChIInChI=1S/C5H8BrN3O2/c1-9-3(7)2(6)4(10)8-5(9)11/h2-3H,7H2,1H3,(H,8,10,11)
InChIKeyRCSKDVAJIKZDSY-UHFFFAOYSA-N
MW222.04 g/mol
LogP-0.78
Rot. Bonds

About 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione

6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 76844825) has the molecular formula C5H8BrN3O2 and a molecular weight of 222.04 g/mol. Its IUPAC name is 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione
PubChem CID76844825
Molecular FormulaC5H8BrN3O2
Molecular Weight222.04 g/mol
Exact Mass220.98
IUPAC Name6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1C(=O)NC(=O)C(Br)C1N
InChIInChI=1S/C5H8BrN3O2/c1-9-3(7)2(6)4(10)8-5(9)11/h2-3H,7H2,1H3,(H,8,10,11)
InChIKeyRCSKDVAJIKZDSY-UHFFFAOYSA-N
XLogP-0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 5-0.78
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

6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione;hydrate
CID 78292337
6-amino-1-methyl-5-piperidin-1-yl-1,3-diazinane-2,4-dione
CID 78277206
(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
CID 131118895
(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
CID 174538671
8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 85204308
5-methyl-1-sulfanylimidazolidine-2,4-dione
CID 141156272
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
4-aminopyrazolidine-3,5-dione
CID 82647065
8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78302943
5-bromo-1-methylimidazolidin-2-one
CID 123826224
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione (CID 76844825) is 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione is CN1C(=O)NC(=O)C(Br)C1N.
What is the InChIKey of 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is RCSKDVAJIKZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O2/c1-9-3(7)2(6)4(10)8-5(9)11/h2-3H,7H2,1H3,(H,8,10,11).
What are the key properties of 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione?
6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 222.04 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 76844825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).