Basic information
- CAS
20535-89-1- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(COc2ccc(C(=O)CCl)cc2)n1- InChIKey
GHVNFBJHVUSTLT-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N4O2
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 402.0650312
Names & identifiers
- Preferred name
- 2-Chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanone
- IUPAC
- 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanone
Names & synonyms
20535-89-1NSC1596962-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanoneDTXSID80329807NSC-1596962-Chloro-1-(4-{[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy}phenyl)ethan-1-one
Database identifiers
- CAS
20535-89-1- PubChem CID
- 423979
- DTXSID
DTXSID80329807
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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