2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde
Basic information
- CAS
16597-42-5- Standard SMILES
Cc1ccc(Nc2nc(N)nc(N)c2C=O)cc1- InChIKey
UMJHPTLILDCPRB-UHFFFAOYSA-N- Molecular formula
- C12H13N5O
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.11201006
Names & identifiers
- Preferred name
- 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde
- IUPAC
- 2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehyde
Names & synonyms
16597-42-52,4-Diamino-6-(p-tolylamino)pyrimidine-5-carbaldehyde2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehydeNSC1035232,4-diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehydeNCIOpen2_007246DTXSID902956405-Pyrimidinecarboxaldehyde,2,4-diamino-6-[(4-methylphenyl)amino]-NSC-103523DS-015535
Database identifiers
- CAS
16597-42-5- PubChem CID
- 266205
- DTXSID
DTXSID90295640
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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