BW 48-122
Basic information
- CAS
7331-20-6- Standard SMILES
Nc1ncc(Oc2ccc(Cl)cc2)c(N)n1- InChIKey
APTANHMYYZPGNW-UHFFFAOYSA-N- Molecular formula
- C10H9ClN4O
- Average molar mass
- 236.66 g/mol
- Monoisotopic mass
- 236.0464886
Names & identifiers
- Preferred name
- BW 48-122
- IUPAC
- 5-(4-chlorophenoxy)pyrimidine-2,4-diamine
- English name
- 5-(4-Chlorophenoxy)pyrimidine-2,4-diamine
- Molecular formula
- C10H9ClN4O
- Molecular weight
- 236.66
Names & synonyms
7331-20-6BW 48-122Pyrimidine, 2,4-diamino-5-(p-chlorophenoxy)-NSC 408103BRN 02183672,4-Diamino-5-(p-chlorophenoxy)pyrimidineDTXSID302235435-25-12-00568 (Beilstein Handbook Reference)RefChem:331480DTXCID601460345-(4-chlorophenoxy)pyrimidine-2,4-diamineNSC-408103
Show more names
BW-48-122
BW 48 122A3RDY437WPSCHEMBL5203452NSC4081032,4-diamino-5-p-chlorophenoxypyrimidine5-(4-Chlorophenoxy)-2,4-pyrimidinediaminePyrimidine,4-diamino-5-(p-chlorophenoxy)-2,4-Pyrimidinediamine, 5-(4-chlorophenoxy)-
Database identifiers
- CAS
7331-20-6- PubChem CID
- 72999
- DTXSID
DTXSID30223543- UNII
- A3RDY437WP
- Nikkaji
- J90.467H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 172 · 172-175 °C
- Boiling point
- 452.4 · 452.4±55.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.10(Predicted)
- FDA UNII
- 3 RDY437WP · A3RDY437WP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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