Basic information
- CAS
131554-47-7- Standard SMILES
CC(=O)c1ccc(Nc2cc(C)nc(N)n2)cc1- InChIKey
CGPBTCUMEHNONE-UHFFFAOYSA-N- Molecular formula
- C13H14N4O
- Average molar mass
- 242.28 g/mol
- Monoisotopic mass
- 242.11676107
Names & identifiers
- Preferred name
- Ethanone, 1-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-
- IUPAC
- 1-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
Names & synonyms
131554-47-71-(4-((2-Amino-6-methylpyrimidin-4-yl)amino)phenyl)ethanoneEthanone, 1-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-NSC602244SCHEMBL3501270DTXSID80326573CGPBTCUMEHNONE-UHFFFAOYSA-NNSC-6022444-(4-acetylphenyl)amino-2-amino-6-methylpyrimidine1-{4-[(2-Amino-6-methylpyrimidin-4-yl)amino]phenyl}ethan-1-one
Database identifiers
- CAS
131554-47-7- PubChem CID
- 353588
- DTXSID
DTXSID80326573
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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