Basic information
- CAS
1078-14-4- Standard SMILES
Cn1cnc2[nH]c(=O)n(O)c(=O)c21- InChIKey
MIQFJGIRJJTLDJ-UHFFFAOYSA-N- Molecular formula
- C6H6N4O3
- Average molar mass
- 182.14 g/mol
- Monoisotopic mass
- 182.04399007
Names & identifiers
- Preferred name
- 1-Hydroxy-7-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 1-hydroxy-7-methyl-3H-purine-2,6-dione
Names & synonyms
1-Hydroxy-7-methyl-3,7-dihydro-1H-purine-2,6-dione1078-14-41-Hydroxy-heteroxanthine37V0PC3DVHNSC85703NSC 85703UNII-37V0PC3DVHCHEMBL3616532NSC-857031-hydroxy-7-methyl-3H-purine-2,6-dioneSCHEMBL8352786DTXSID10148245
Show more names
BDBM501197591H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-HYDROXY-7-METHYL-
Database identifiers
- CAS
1078-14-4- PubChem CID
- 257571
- DTXSID
DTXSID10148245- ChEMBL
CHEMBL3616532- UNII
- 37V0PC3DVH
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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