Basic information
- CAS
171178-22-6- Standard SMILES
Fc1ccc2ncnc(Nc3cccc(Br)c3)c2n1- InChIKey
IEMOICPYMPGBAD-UHFFFAOYSA-N- Molecular formula
- C13H8BrFN4
- Average molar mass
- 319.13 g/mol
- Monoisotopic mass
- 317.99163658
Names & identifiers
- Preferred name
- N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine
- IUPAC
- N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine
Names & synonyms
N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine171178-22-6CHEMBL547884-(3-Bromoanilino)-6-fluoropyrido(3,2-d]pyrimidine4-(3-Bromoanilino)-6-fluoropyrido[3,2-d)pyrimidine4-(3-Bromoanilino)-6-fluoropyrido[3,2-d]pyrimidinePyrido[3,2-d]pyrimidine 11eBDBM3619SCHEMBL6837207IEMOICPYMPGBAD-UHFFFAOYSA-DTXSID50416152IEMOICPYMPGBAD-UHFFFAOYSA-N
Show more names
4-(3-bromoanilino)-6-fluoropyrido[3,2-d) pyrimidine4-(3-bromoanilino)-6-fluoropyrido [3,2-d) pyrimidine4-[(3-bromophenyl)-amino]-6-fluoropyrido[3,2-d]pyrimidineInChI=1/C13H8BrFN4/c14-8-2-1-3-9(6-8)18-13-12-10(16-7-17-13)4-5-11(15)19-12/h1-7H,(H,16,17,18)
Database identifiers
- CAS
171178-22-6- PubChem CID
- 5328276
- DTXSID
DTXSID50416152- ChEMBL
CHEMBL54788
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
27 records
Compound notes
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