Basic information
- CAS
7781-29-5- Standard SMILES
Cc1cc(Nc2ccccc2)nc(N)n1- InChIKey
FHBLLCUQBZVVMP-UHFFFAOYSA-N- Molecular formula
- C11H12N4
- Average molar mass
- 200.24 g/mol
- Monoisotopic mass
- 200.1061964
Names & identifiers
- Preferred name
- 2-Amino-4-phenylamino-6-methylpyrimidine
- IUPAC
- 6-methyl-4-N-phenylpyrimidine-2,4-diamine
- English name
- 2-Amino-4-phenylamino-6-methylpyrimidine
- Molecular formula
- C11H12N4
- Molecular weight
- 200.24
Names & synonyms
7781-29-52-Amino-4-phenylamino-6-methylpyrimidine6-methyl-4-N-phenylpyrimidine-2,4-diamine6-methyl-N4-phenylpyrimidine-2,4-diamineMLS000577547SMR0001855376-methyl-N~4~-phenyl-2,4-pyrimidinediamine2-amino-4-anilino-6-methylpyrimidine6-methyl-4-phenylaminopyrimidin-2-aminePyrimidine, 2-amino-4-anilino-6-methyl-CBMicro_0186822,4-Pyrimidinediamine, 6-methyl-N4-phenyl-
Show more names
6-METHYL-N4-PHENYL-2,4-PYRIMIDINEDIAMINE
Cambridge id 5346865Oprea1_573662Oprea1_866435cid_608203SCHEMBL3500070CHEMBL1717325BDBM73476DTXSID40345942
Database identifiers
- CAS
7781-29-5- PubChem CID
- 608203
- DTXSID
DTXSID40345942- ChEMBL
CHEMBL1717325- Nikkaji
- J117.041D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 170 · 170-172 °C
- Boiling point
- 441 · 441.0±37.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
12 records
Compound notes
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