Basic information
- CAS
5614-55-1- Standard SMILES
Cn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O- InChIKey
QPSKKCDYWZWBCM-UHFFFAOYSA-N- Molecular formula
- C9H11N5O3
- Average molar mass
- 237.22 g/mol
- Monoisotopic mass
- 237.08618923
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Names & synonyms
5614-55-11,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamideRefChem:2145887H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-SMR0000087172-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamideOprea1_082821Oprea1_314240MLS000071934SCHEMBL660023CHEMBL1503942
Show more names
DTXSID501173938HMS2183I032-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamideAKOS000576485ST50031588VU0226783-4Z19358125F0373-0286
Database identifiers
- CAS
5614-55-1- PubChem CID
- 656226
- DTXSID
DTXSID501173938- ChEMBL
CHEMBL1503942
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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