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Basic information
- Standard SMILES
Cn1c(=O)cc(N)n(Cc2cccc(N)c2)c1=O- InChIKey
OVDRVDBBFVAMFM-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2
- Average molar mass
- 246.27 g/mol
- Monoisotopic mass
- 246.1116757
Names & identifiers
- Preferred name
- 6-Amino-1-[(3-aminophenyl)methyl]-3-methylpyrimidine-2,4-dione
- IUPAC
- 6-amino-1-[(3-aminophenyl)methyl]-3-methylpyrimidine-2,4-dione
Database identifiers
- PubChem CID
- 22226502
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Related reactions
1 records
Compound notes
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