6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione

C6H9N5O2 — CID 136625743

IUPAC6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\C(=O)NC(=O)N\C1=N/CCN
InChIInChI=1S/C6H9N5O2/c7-1-2-9-4-3(8)5(12)11-6(13)10-4/h8H,1-2,7H2,(H2,9,10,11,12,13)/b8-3-
InChIKeyXRNRISLVZKGDRG-BAQGIRSFSA-N
MW183.17 g/mol
LogP-1.80
Rot. Bonds2

About 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione

6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione (PubChem CID 136625743) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione
PubChem CID136625743
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\C(=O)NC(=O)N\C1=N/CCN
InChIInChI=1S/C6H9N5O2/c7-1-2-9-4-3(8)5(12)11-6(13)10-4/h8H,1-2,7H2,(H2,9,10,11,12,13)/b8-3-
InChIKeyXRNRISLVZKGDRG-BAQGIRSFSA-N
XLogP-1.80
TPSA120.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 73188274
8-Aminoxanthine
CID 135754539
3,8-Dihydro-1H-purine-2,6-dione
CID 68891898
8,8-dimethyl-3H-purine-2,6-dione
CID 150276234
(1,3-Dimethyl-2,6-dioxopurin-8-ylidene)-ethylazanium
CID 78175514

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione (CID 136625743) is 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione is [H]/N=C1\C(=O)NC(=O)N\C1=N/CCN.
What is the InChIKey of 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione?
The InChIKey is XRNRISLVZKGDRG-BAQGIRSFSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-1-2-9-4-3(8)5(12)11-6(13)10-4/h8H,1-2,7H2,(H2,9,10,11,12,13)/b8-3-.
What are the key properties of 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione?
6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione has a molecular weight of 183.17 g/mol, XLogP of -1.80, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylimino)-5-imino-1,3-diazinane-2,4-dione is sourced from PubChem (CID 136625743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).