Completing data — usually done within a minute
Basic information
- CAS
1346672-61-4- Standard SMILES
Cn1cc(Br)cc(Nc2ccncn2)c1=O- InChIKey
KSMAGFGRTLPTFE-UHFFFAOYSA-N- Molecular formula
- C10H9BrN4O
- Average molar mass
- 281.11 g/mol
- Monoisotopic mass
- 279.99597301
Names & identifiers
- Preferred name
- 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2(1H)-one
- IUPAC
- 5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2-one
Names & synonyms
5-bromo-1-methyl-3-(pyrimidin-4-ylamino)pyridin-2(1H)-one1346672-61-4SCHEMBL255387SCHEMBL31158071KSMAGFGRTLPTFE-UHFFFAOYSA-NDTXSID401201417DB-3171965-Bromo-1-methyl-3-(4-pyrimidinylamino)-2(1H)-pyridinone5-Bromo-1-methyl-3-[(pyrimidin-4-yl)amino]pyridin-2(1H)-one
Database identifiers
- CAS
1346672-61-4- PubChem CID
- 58044094
- DTXSID
DTXSID401201417
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Related reactions
15 records
Compound notes
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