Xanthine, 3-(2-hydroxyethyl)-1-methyl-
Basic information
- CAS
31542-47-9- Standard SMILES
Cn1c(=O)c2[nH]cnc2n(CCO)c1=O- InChIKey
XXSKBKUNDLWMML-UHFFFAOYSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- Xanthine, 3-(2-hydroxyethyl)-1-methyl-
- IUPAC
- 3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione
Names & synonyms
Xanthine, 3-(2-hydroxyethyl)-1-methyl-31542-47-9BRN 02406723-(2-Hydroxyethyl)-1-methylxanthineDTXSID201854444-26-00-02355 (Beilstein Handbook Reference)1H-Purine-2,6-dione, 3,7-dihydro-3-(2-hydroxyethyl)-1-methyl-RefChem:388464DTXCID30107935CHEMBL260613-(2-Hydroxy-ethyl)-1-methyl-3,7-dihydro-purine-2,6-dioneXXSKBKUNDLWMML-UHFFFAOYSA-N
Show more names
BDBM500255793-(2-Hydroxyethyl)-1-methyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
31542-47-9- PubChem CID
- 208041
- DTXSID
DTXSID20185444- ChEMBL
CHEMBL26061
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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