Rilpivirine
Properties
- Molecular formula
- C22H18N6
- Molar mass
- 366.43 g/mol
- Exact mass
- 366.1593 Da
- Melting point
- 245 °C
- pKa
- 5.6
- Water solubility
- practically insoluble
- 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
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled10% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin10% of notifiers
- H319 Causes serious eye irritation70% of notifiers
- H332 Harmful if inhaled10% of notifiers
- H400 Very toxic to aquatic life70% of notifiers
- H410 Very toxic to aquatic life with long lasting effects70% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P391, P501
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
Dapivirine244767-67-737 % similar
4-((4-Chloropyrimidin-2-yl)amino)benzonitrile244768-32-934 % similar
(E)-3-(4-Amino-3,5-dimethylphenyl)acrylonitrile hydrochloride661489-23-234 % similar
4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile189956-45-432 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.