Basic information
- CAS
827602-53-9- Standard SMILES
COc1ccc(CNc2nc(Br)cnc2N)cc1- InChIKey
YMCPFTAEKZJNQO-UHFFFAOYSA-N- Molecular formula
- C12H13BrN4O
- Average molar mass
- 309.16 g/mol
- Monoisotopic mass
- 308.02727314
Names & identifiers
- Preferred name
- 6-Bromo-N2-(4-methoxybenzyl)pyrazine-2,3-diamine
- IUPAC
- 5-bromo-3-N-[(4-methoxyphenyl)methyl]pyrazine-2,3-diamine
- English name
- 5-BROMO-3-[(4-METHOXYBENZYL)AMINO]PYRAZIN-2-AMINE
- Molecular formula
- C12H13BrN4O
- Molecular weight
- 0
Names & synonyms
827602-53-96-Bromo-N2-(4-methoxybenzyl)pyrazine-2,3-diamineSCHEMBL3953843DTXSID90647509YMCPFTAEKZJNQO-UHFFFAOYSA-NDB-3993855-Bromo-N~3~-[(4-methoxyphenyl)methyl]pyrazine-2,3-diamine5-BROMO-3-[(4-METHOXYBENZYL)AMINO]PYRAZIN-2-AMINE
Database identifiers
- CAS
827602-53-9- PubChem CID
- 24820429
- DTXSID
DTXSID90647509
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
Related reactions
2 records
Compound notes
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