N-(2-Methyl-5-nitrophenyl)-4-(2-pyridinyl)-2-pyrimidinamine
Basic information
- CAS
475587-23-6- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2ccccn2)n1- InChIKey
PSQYYLFCJSRCNH-UHFFFAOYSA-N- Molecular formula
- C16H13N5O2
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.10692467
Names & identifiers
- Preferred name
- N-(2-Methyl-5-nitrophenyl)-4-(2-pyridinyl)-2-pyrimidinamine
- IUPAC
- N-(2-methyl-5-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
- English name
- Imatinib Impurity
- Molecular formula
- C16H13N5O2
- Molecular weight
- 307.31
Names & synonyms
475587-23-6N-(2-Methyl-5-nitrophenyl)-4-(2-pyridinyl)-2-pyrimidinamineN-(2-methyl-5-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-aminePYRIMIDIN-2-AMINE, N-(2-METHYL-5-NITROPHENYL)-4-(2-PYRIDINYL)-Imatinib Impurity 36SCHEMBL4903403DTXSID40431915N-(2-Methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine2-Pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(2-pyridinyl)-
Database identifiers
- CAS
475587-23-6- PubChem CID
- 9857734
- DTXSID
DTXSID40431915
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Boiling point
- 537.8 · 537.8±60.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.10(Predicted)
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Compound notes
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