8-(2-Hydroxyethyl)-6,7-dimethylpteridine-2,4-dione
Basic information
- CAS
13300-17-9- Standard SMILES
Cc1nc2c(=O)[nH]c(=O)nc-2n(CCO)c1C- InChIKey
YFLJDQVSXQDXCY-UHFFFAOYSA-N- Molecular formula
- C10H12N4O3
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.09094026
Names & identifiers
- Preferred name
- 8-(2-Hydroxyethyl)-6,7-dimethylpteridine-2,4-dione
- IUPAC
- 8-(2-hydroxyethyl)-6,7-dimethylpteridine-2,4-dione
- English name
- 8-(2-Hydroxyethyl)-6,7-dimethylpteridine-2,4(3H,8H)-dione
- Molecular formula
- C10H12N4O3
- Molecular weight
- 236.23
Names & synonyms
13300-17-9NSC6809888-(2-Hydroxyethyl)-6,7-dimethylpteridine-2,4(3H,8H)-dione8-(2-hydroxyethyl)-6,7-dimethylpteridine-2,4-dione2,4(3H,8H)-Pteridinedione, 8-(2-hydroxyethyl)-6,7-dimethyl-Lumazine, 8-(2-hydroxyethyl)-6,7-dimethyl-CHEMBL1980486DTXSID90327733YFLJDQVSXQDXCY-UHFFFAOYSA-NNSC-680988NCI60_0288808-(2-hydroxyethyl)-6,7-dimethyl-pteridine-2,4-dione
Show more names
8-(2-Hydroxyethyl)-6,7-dimethyl-2,4(3H,8H)-pteridinedione8-(2-Hydroxyethyl)-6,7-dimethyl-2,4(3H,8H)-pteridinedione #pteridine, 4,8-dihydro-2-hydroxy-8-(2-hydroxyethyl)-6,7-dimethyl-4-oxo-
Database identifiers
- CAS
13300-17-9- PubChem CID
- 387294
- DTXSID
DTXSID90327733- ChEMBL
CHEMBL1980486- Nikkaji
- J99.791I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 490
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Compound notes
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