Basic information
- CAS
6335-00-8- Standard SMILES
Cc1cc(C(C)C)ccc1-n1c(N)nc(N)nc1=N- InChIKey
OVGMLGJJSMKCJW-UHFFFAOYSA-N- Molecular formula
- C13H18N6
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.1592946
Names & identifiers
- Preferred name
- (6e)-6-Imino-1-[2-methyl-4-(propan-2-yl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-imino-1-(2-methyl-4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
6335-00-8(6e)-6-imino-1-[2-methyl-4-(propan-2-yl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamineNSC13070DTXSID00279532NSC-130706-Imino-1-[2-methyl-4-(propan-2-yl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
6335-00-8- PubChem CID
- 224528
- DTXSID
DTXSID00279532
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…