Basic information
- CAS
175139-09-0- Standard SMILES
CCCCN(CC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1C- InChIKey
OPIDINZUMAOKOR-UHFFFAOYSA-N- Molecular formula
- C21H32N4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.26269702
Names & identifiers
- Preferred name
- N-Butyl-N-ethyl-2,5-dimethyl-N'-(2,4,6-trimethylphenyl)-pyrimidine-4,6-diamine
- IUPAC
- 4-N-butyl-4-N-ethyl-2,5-dimethyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
Names & synonyms
SCHEMBL5843286OPIDINZUMAOKOR-UHFFFAOYSA-NDTXSID001135997N-Butvl--N-ethyl-2,5-dimethyl-N'-(2,4,6-trimethylphenyl)-pyrimidine-4,6-diamineN-Butyl-N-ethyl-2,5-dimethyl-N'-(2,4,6-trimethylphenyl)-pyrimidine-4,6-diamineN-Butyl-N-ethyl-2,5-dimethyl-N'-(2,4,6-trimethylphenyl)-pyrimidine-4.6-diamineN~4~-Butyl-N~4~-ethyl-2,5-dimethyl-N~6~-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamineN4-Butyl-N4-ethyl-2,5-dimethyl-N6-(2,4,6-trimethylphenyl)-4,6-pyrimidinediamine175139-09-0
Database identifiers
- CAS
175139-09-0- PubChem CID
- 9840906
- DTXSID
DTXSID001135997
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
5 records
Compound notes
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