Basic information
- CAS
7596-07-8- Standard SMILES
CC(C)Nc1nc(N)nc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12- InChIKey
IUJVZZHXALKKFE-UHFFFAOYSA-N- Molecular formula
- C21H18Cl2N6
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.097
Names & identifiers
- Preferred name
- 6,7-bis(4-chlorophenyl)-4-N-propan-2-ylpteridine-2,4-diamine
- IUPAC
- 6,7-bis(4-chlorophenyl)-4-N-propan-2-ylpteridine-2,4-diamine
Names & synonyms
7596-07-8NSC4081386,7-bis(4-chlorophenyl)-4-N-propan-2-ylpteridine-2,4-diamineDTXSID30324988NSC-4081386,7-Bis(4-chlorophenyl)-N~4~-(propan-2-yl)pteridine-2,4-diamine
Database identifiers
- CAS
7596-07-8- PubChem CID
- 348689
- DTXSID
DTXSID30324988
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…