Basic information
- CAS
6301-29-7- Standard SMILES
Cc1ccc(C)c(Nc2cc(C)nc(N)n2)c1- InChIKey
ZFLFFCLARJZXRI-UHFFFAOYSA-N- Molecular formula
- C13H16N4
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.13749653
Names & identifiers
- Preferred name
- 4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
- IUPAC
- 4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
Names & synonyms
6301-29-7N~4~-(2,5-dimethylphenyl)-6-methyl-2,4-pyrimidinediamineNSC441914-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamineDTXSID80978899NSC-44191N~4~-(2,5-Dimethylphenyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
Database identifiers
- CAS
6301-29-7- PubChem CID
- 239270
- DTXSID
DTXSID80978899
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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