Basic information
- CAS
15422-30-7- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(CNc2ccc(C(=O)CCl)cc2)n1- InChIKey
CJEFIGVWUFSELZ-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N5O
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0810156
Names & identifiers
- Preferred name
- 2-Chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
- IUPAC
- 2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone
Names & synonyms
15422-30-7NSC2108942-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanoneDTXSID00329804NSC159690NSC-159690NSC-2108942-Chloro-1-[4-({[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methyl}amino)phenyl]ethan-1-one
Database identifiers
- CAS
15422-30-7- PubChem CID
- 423974
- DTXSID
DTXSID00329804
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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