4-[1,1'-Biphenyl]-4-yl-2-pyrimidinamine
Basic information
- CAS
299463-56-2- Standard SMILES
Nc1nccc(-c2ccc(-c3ccccc3)cc2)n1- InChIKey
OSVOLQJCSTWERU-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094743
Names & identifiers
- Preferred name
- 4-[1,1'-Biphenyl]-4-yl-2-pyrimidinamine
- IUPAC
- 4-(4-phenylphenyl)pyrimidin-2-amine
- English name
- 4-[1,1'-Biphenyl]-4-yl-2-pyrimidinamine
- Molecular formula
- C16H13N3
- Molecular weight
- 247.29
Names & synonyms
299463-56-24-([1,1'-Biphenyl]-4-yl)pyrimidin-2-amine4-[1,1'-biphenyl]-4-yl-2-pyrimidinamine4-(4-phenylphenyl)pyrimidin-2-amineMFCD022581474-(4-phenylphenyl)pyrimidine-2-ylamine4-{[1,1'-biphenyl]-4-yl}pyrimidin-2-amine4-[1,1-biphenyl]-4-yl-2-pyrimidinamineSCHEMBL12176972DTXSID50353250SBB082803STK790239
Show more names
BUTTPARK 41\09-85RARECHEM AL FI 00174-(1,1'-BIPHENYL-4-YL)PYRIMIDIN-2-AMINE2-Pyrimidinamine, 4-[1,1'-biphenyl]-4-yl-4-[1,1′-Biphenyl]-4-yl-2-pyrimidinamine, CAS 299463-56-2
4-(biphenyl-4-yl)pyrimidin-2-amineAKOS002676098SB58906DB-367201CS-0328062ST510152524-[1,1'-biphenyl]-4-yl-2-pyrimidinylamineAG-401/42873804
Database identifiers
- CAS
299463-56-2- PubChem CID
- 737501
- DTXSID
DTXSID50353250
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 248 · 248-250°C
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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