4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile
Basic information
- CAS
6303-41-9- Standard SMILES
Cc1cc(Nc2ccc(C#N)cc2)nc(N)n1- InChIKey
LDKAFKDCQRUJLA-UHFFFAOYSA-N- Molecular formula
- C12H11N5
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.10144537
Names & identifiers
- Preferred name
- 4-[(2-Amino-6-methylpyrimidin-4-yl)amino]benzonitrile
- IUPAC
- 4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzonitrile
- English name
- 4-[(2-amino-6-methyl-pyrimidin-4-yl)amino]benzonitrile
- Molecular formula
- C12H11N5
- Molecular weight
- 225.25
Names & synonyms
6303-41-94-[(2-amino-6-methylpyrimidin-4-yl)amino]benzonitrile4-((2-Amino-6-methylpyrimidin-4-yl)amino)benzonitrileNSC43270SCHEMBL7356335DTXSID202859384-[(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)AMINO]BENZONITRILENSC-43270n'-hydroxy-2-(4-methoxyphenyl)acetimidamideBenzonitrile, 4-[(2-amino-6-methyl-4-pyrimidinyl)amino]-
Database identifiers
- CAS
6303-41-9- PubChem CID
- 238744
- DTXSID
DTXSID20285938
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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