[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate

C8H11N3O4 — CID 131855838

IUPAC[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate
SMILESCC(=O)ON=C1CC(=O)N(C)C(=O)N1C
InChIInChI=1S/C8H11N3O4/c1-5(12)15-9-6-4-7(13)11(3)8(14)10(6)2/h4H2,1-3H3
InChIKeyOVYFHJNSXXQZBF-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.22
Rot. Bonds1

About [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate

[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate (PubChem CID 131855838) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate.

Molecular Properties

Compound Name[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate
PubChem CID131855838
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate
SMILESCC(=O)ON=C1CC(=O)N(C)C(=O)N1C
InChIInChI=1S/C8H11N3O4/c1-5(12)15-9-6-4-7(13)11(3)8(14)10(6)2/h4H2,1-3H3
InChIKeyOVYFHJNSXXQZBF-UHFFFAOYSA-N
XLogP-0.22
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 6409666
6-Hydroxyimino-1,3-dimethyluracil
CID 6791968
(6E)-6-hydroxyimino-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 9566368
[(Z)-(1,3-dimethyl-4-methylimino-2,6-dioxo-1,3-diazinan-5-ylidene)amino] acetate
CID 125508552
[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate
CID 131857041
3-Methyl-6-(methylamino)-2,4,5(3H)-pyrimidinetrione 5-(O-acetyloxime)
CID 165344930

Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate?
The IUPAC name of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate (CID 131855838) is [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate.
What is the SMILES notation for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate?
The canonical SMILES for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate is CC(=O)ON=C1CC(=O)N(C)C(=O)N1C.
What is the InChIKey of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate?
The InChIKey is OVYFHJNSXXQZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5(12)15-9-6-4-7(13)11(3)8(14)10(6)2/h4H2,1-3H3.
What are the key properties of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate?
[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate has a molecular weight of 213.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate is sourced from PubChem (CID 131855838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).