Basic information
- CAS
20535-88-0- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(CNc2ccc(C(=O)CCl)cc2)n1- InChIKey
PWVSGOMRTPGBSX-UHFFFAOYSA-N- Molecular formula
- C19H16Cl3N5O
- Average molar mass
- 436.7 g/mol
- Monoisotopic mass
- 435.042043
Names & identifiers
- Preferred name
- 2-Chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
- IUPAC
- 2-chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
Names & synonyms
20535-88-0NSC1596912-chloro-1-[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanoneDTXSID60329805NSC210892NSC-159691NSC-2108922-Chloro-1-[4-({[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl}amino)phenyl]ethan-1-one
Database identifiers
- CAS
20535-88-0- PubChem CID
- 423975
- DTXSID
DTXSID60329805
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…