2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N,N-diethylacetamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
106164-79-8- Standard SMILES
CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
HRIJEJDKCKJHEG-UHFFFAOYSA-N- Molecular formula
- C13H19N5O3
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.14878949
Names & identifiers
- Preferred name
- 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N,N-diethylacetamide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N,N-diethylacetamide
- English name
- 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N,N-diethylacetamide
- Molecular formula
- C13H19N5O3
- Molecular weight
- 293.32
Names & synonyms
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N,N-diethylacetamide106164-79-8ZINC182564Oprea1_073753Oprea1_771150MLS000075918CHEMBL1540654DTXSID201030537HMS2417D04MFCD02223181STK063772ZINC00182564
Show more names
7H-Purine-7-acetamide, N,N-diethyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
AKOS000677401CCG-1064892-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-N,N-diethyl-acetamideUPCMLD0ENAT5672061:001SMR000010083ZINC000000182564ST50296585CCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CC
Database identifiers
- CAS
106164-79-8- PubChem CID
- 652907
- DTXSID
DTXSID201030537- ChEMBL
CHEMBL1540654
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 186 · 186-187 °C
- Boiling point
- 520.9 · 520.9±56.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 0.03 · 0.03±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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