Basic information
- CAS
18861-36-4- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(CNc2ccc(C3(CCl)OCCO3)cc2)n1- InChIKey
HOCRCWAAVSEDJQ-UHFFFAOYSA-N- Molecular formula
- C21H21Cl2N5O2
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.1072303
Names & identifiers
- Preferred name
- 6-({4-[2-(Chloromethyl)-1,3-dioxolan-2-yl]anilino}methyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-[[4-[2-(chloromethyl)-1,3-dioxolan-2-yl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Names & synonyms
18861-36-4NSC210896DTXSID50330167NSC-2108966-({4-[2-(Chloromethyl)-1,3-dioxolan-2-yl]anilino}methyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine
Database identifiers
- CAS
18861-36-4- PubChem CID
- 427293
- DTXSID
DTXSID50330167
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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