4-(4-Chlorophenyl)-6-(2-propen-1-ylamino)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
Basic information
- CAS
320418-27-7- Standard SMILES
C=CCNc1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N- InChIKey
HQJGZBOXBMKVNU-UHFFFAOYSA-N- Molecular formula
- C19H14ClN5
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0937732
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-6-(2-propen-1-ylamino)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
- IUPAC
- 4-(4-chlorophenyl)-6-(prop-2-enylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrile
- English name
- 4-(Allylamino)-6-(4-chlorophenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile
- Molecular formula
- C19H14ClN5
- Molecular weight
- 347.8
Names & synonyms
320418-27-74-(4-Chlorophenyl)-6-(2-propen-1-ylamino)-2-(4-pyridinyl)-5-pyrimidinecarbonitrileRefChem:2879704-(allylamino)-6-(4-chlorophenyl)-2-(4-pyridinyl)-5-pyrimidinecarbonitrile4-(4-chlorophenyl)-6-[(prop-2-en-1-yl)amino]-2-(pyridin-4-yl)pyrimidine-5-carbonitrile4-(4-chlorophenyl)-6-(prop-2-enylamino)-2-pyridin-4-ylpyrimidine-5-carbonitrileOprea1_352187DTXSID401131228AKOS0050819901E-131S4-(allylamino)-6-(4-chlorophenyl)-2-(pyridin-4-yl)pyrimidine-5-carbonitrile5-Pyrimidinecarbonitrile, 4-(4-chlorophenyl)-6-(2-propen-1-ylamino)-2-(4-pyridinyl)-
Database identifiers
- CAS
320418-27-7- PubChem CID
- 3791978
- DTXSID
DTXSID401131228
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 506.6 · 506.6±50.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 0.07 · 0.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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