2-(Methylsulfanyl)-6-phenylpteridine-4,7-diamine
Basic information
- CAS
19172-94-2- Standard SMILES
CSc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1- InChIKey
LFHJVTNMAOVQHQ-UHFFFAOYSA-N- Molecular formula
- C13H12N6S
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.08441558
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-6-phenylpteridine-4,7-diamine
- IUPAC
- 2-methylsulfanyl-6-phenylpteridine-4,7-diamine
Names & synonyms
19172-94-22-(methylsulfanyl)-6-phenylpteridine-4,7-diamineNSC82552SCHEMBL5500518DTXSID30292436NSC-82552
Database identifiers
- CAS
19172-94-2- PubChem CID
- 256157
- DTXSID
DTXSID30292436
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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