5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione

C7H10BrN3O2 — CID 140537494

IUPAC5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1Br
InChIInChI=1S/C7H10BrN3O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3H2,1H3,(H2,9,10,13)
InChIKeyUCMPWVIWQIQGQW-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.69
Rot. Bonds2

About 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione

5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 140537494) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione
PubChem CID140537494
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1Br
InChIInChI=1S/C7H10BrN3O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3H2,1H3,(H2,9,10,13)
InChIKeyUCMPWVIWQIQGQW-UHFFFAOYSA-N
XLogP0.69
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-imino-5-(2-methylpropyl)-1-propylimidazolidin-2-one
CID 138388584
5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
CID 138391173
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448
5-(2-bromo-4-methylphenyl)-4-imino-1-propylimidazolidin-2-one
CID 138391346
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758
4-imino-5-(5-methyloxolan-2-yl)-1-propylimidazolidin-2-one
CID 138391425
1-ethyl-4-imino-5-pentylimidazolidin-2-one
CID 138389280
4-imino-5-(3-methylcyclohexyl)-1-propylimidazolidin-2-one
CID 138388397
4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
CID 156894014
4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
CID 138388889
5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388421
5-propyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 75146557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione (CID 140537494) is 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)N(CCC)C(=O)C1Br.
What is the InChIKey of 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is UCMPWVIWQIQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3H2,1H3,(H2,9,10,13).
What are the key properties of 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione?
5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 248.08 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-imino-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 140537494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).