1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
Basic information
- CAS
4680-51-7- Standard SMILES
Cn1c(=O)c2cn[nH]c2n(C)c1=O- InChIKey
UOZYUNMWPMJYJQ-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.06472551
Names & identifiers
- Preferred name
- 1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
- IUPAC
- 5,7-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
Names & synonyms
4680-51-71H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-NSC327160SCHEMBL44302965,7-Dimethyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4,6(5H)-dioneAKOS001769088NSC-327160AN-941/138800055,7-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione5,7-dimethyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dioneInChI=1/C7H8N4O2/c1-10-5-4(3-8-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9
Database identifiers
- CAS
4680-51-7- PubChem CID
- 331886
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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