2-Hydroxybenzoic acid-5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine(1:1)
Basic information
- CAS
7403-48-7- Standard SMILES
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.O=C(O)c1ccccc1O- InChIKey
DXDDBRBBDXUUOX-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O3
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.1145682
Names & identifiers
- Preferred name
- 2-Hydroxybenzoic acid-5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine(1:1)
- IUPAC
- 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;2-hydroxybenzoic acid
Names & synonyms
7403-48-7NSC373342-hydroxybenzoic acid- 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine(1:1)DTXSID40284463NSC-373342-Hydroxybenzoic acid--5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (1/1)
Database identifiers
- CAS
7403-48-7- PubChem CID
- 235684
- DTXSID
DTXSID40284463
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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