4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
Basic information
- CAS
6303-42-0- Standard SMILES
Cc1nc(N)nc(Nc2ccc(C#N)cc2)c1Br- InChIKey
JBSQQFCPEQORMW-UHFFFAOYSA-N- Molecular formula
- C12H10BrN5
- Average molar mass
- 304.15 g/mol
- Monoisotopic mass
- 303.01196
Names & identifiers
- Preferred name
- 4-[(2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
- IUPAC
- 4-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrile
- English name
- 4-[(2-amino-5-bromo-6-methyl-pyrimidin-4-yl)amino]benzonitrile
- Molecular formula
- C12H10BrN5
- Molecular weight
- 304.15
Names & synonyms
6303-42-04-[(2-amino-5-bromo-6-methylpyrimidin-4-yl)amino]benzonitrileMLS0007370764-((2-Amino-5-bromo-6-methylpyrimidin-4-yl)amino)benzonitrileNSC43271CHEMBL1905747DTXSID80285939HMS2759A24NSC-43271SMR0003940304-[(2-amino-5-bromo-6-methyl-pyrimidin-4-yl)amino]benzonitrileBenzonitrile, 4-[(2-amino-5-bromo-6-methyl-4-pyrimidinyl)amino]-
Database identifiers
- CAS
6303-42-0- PubChem CID
- 238745
- DTXSID
DTXSID80285939- ChEMBL
CHEMBL1905747
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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