Rilpivirine
Properties
- Molecular formula
- C22H18N6
- Molar mass
- 366.43 g/mol
- Exact mass
- 366.1593 Da
- Melting point
- 245 °C
- logP
- 4.41Crippen estimate
- Polar surface area
- 100.7 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
500287-72-9SMILES
Cc1cc(/C=C/C#N)cc(C)c1N=c1ccnc(Nc2ccc(C#N)cc2)[nH]1InChIKey
YIBOMRUWOWDFLG-ONEGZZNKSA-NInChI
InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzonitrile, 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-
- 4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile
- R 278474
- TMC 278
- Rekambys
Work with Rilpivirine
Similar compounds
4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile244768-32-934 % similar
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile189956-45-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds