4(3H)-Quinazolinone, 6-bromo-2-methyl-3-(2-pyrimidinyl)-
Basic information
- CAS
37905-57-0- Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)n1-c1ncccn1- InChIKey
SQHNLKSUWTUUIE-UHFFFAOYSA-N- Molecular formula
- C13H9BrN4O
- Average molar mass
- 317.14 g/mol
- Monoisotopic mass
- 315.99597
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-2-methyl-3-(2-pyrimidinyl)-
- IUPAC
- 6-bromo-2-methyl-3-pyrimidin-2-ylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6-bromo-2-methyl-3-(2-pyrimidinyl)-37905-57-0BRN 09215546-Bromo-2-methyl-3-(2-pyrimidinyl)-4(3H)-quinazolinoneDTXSID701913386-Bromo-2-methyl-3-(pyrimidin-2-yl)quinazolin-4(3H)-one
Database identifiers
- CAS
37905-57-0- PubChem CID
- 63769
- DTXSID
DTXSID70191338
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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