Basic information
- CAS
6967-54-0- Standard SMILES
Cc1cc(Cl)nc(Nc2ccccc2)n1- InChIKey
MPHBIDCNHVMYDD-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3
- Average molar mass
- 219.67 g/mol
- Monoisotopic mass
- 219.056325
Names & identifiers
- Preferred name
- 2-Anilino-4-chloro-6-methylpyrimidine
- IUPAC
- 4-chloro-6-methyl-N-phenylpyrimidin-2-amine
- English name
- 2-Anilino-4-chloro-6-methylpyrimidine
- Molecular formula
- C11H10ClN3
- Molecular weight
- 219.67
Names & synonyms
2-Anilino-4-chloro-6-methylpyrimidine6967-54-0DTXSID40290201RefChem:256083DTXCID702413474-chloro-6-methyl-N-phenylpyrimidin-2-amineNSC67302SCHEMBL3708228MPHBIDCNHVMYDD-UHFFFAOYSA-NNSC-67302AKOS0026594556-methyl-2-phenylamino-4-chloropyrimidine
Show more names
2-Pyrimidinamine, 4-chloro-6-methyl-N-phenyl-
Database identifiers
- CAS
6967-54-0- PubChem CID
- 249239
- DTXSID
DTXSID40290201
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 383.2 · 383.2±34.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.10(Predicted)
Chemistry & industry
Suppliers1 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
4 records
Compound notes
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