About 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea
1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea (PubChem CID 159381987) has the molecular formula C235H236N38O19
and a molecular weight of 3896.72 g/mol. Its IUPAC name is 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea.
Frequently Asked Questions
What is the IUPAC name of 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea (CID 159381987) is 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea is CCN(CC)CCOc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)c1.CN(C)CCOc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)c1.CN1CCN(CCOc2ccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(-c6ccccc6)c(-c6ccccc6)c45)cc3)cc2)CC1.CN1CCN(CCOc2cccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(-c6ccccc6)c(-c6ccccc6)c45)cc3)c2)CC1.O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)Nc1cccc(OCCN2CCCCC2)c1.O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)Nc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea?
The InChIKey is LLAJPBJRAZOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H41N7O3.C40H40N6O3.C39H38N6O4.C39H40N6O3.C37H36N6O3/c1-46-21-23-47(24-22-46)25-26-49-34-14-8-13-33(27-34)45-40(48)44-32-17-15-29(16-18-32)19-20-41-38-36-35(30-9-4-2-5-10-30)37(31-11-6-3-7-12-31)50-39(36)43-28-42-38;1-46-22-24-47(25-23-46)26-27-49-34-18-16-33(17-19-34)45-40(48)44-32-14-12-29(13-15-32)20-21-41-38-36-35(30-8-4-2-5-9-30)37(31-10-6-3-7-11-31)50-39(36)43-28-42-38;47-40(45-33-15-10-16-34(27-33)48-26-25-46-23-8-3-9-24-46)44-32-19-17-29(18-20-32)21-22-41-38-36-35(30-11-4-1-5-12-30)37(31-13-6-2-7-14-31)49-39(36)43-28-42-38;46-39(44-32-12-7-13-33(26-32)48-25-22-45-20-23-47-24-21-45)43-31-16-14-28(15-17-31)18-19-40-37-35-34(29-8-3-1-4-9-29)36(30-10-5-2-6-11-30)49-38(35)42-27-41-37;1-3-45(4-2)24-25-47-33-17-11-16-32(26-33)44-39(46)43-31-20-18-28(19-21-31)22-23-40-37-35-34(29-12-7-5-8-13-29)36(30-14-9-6-10-15-30)48-38(35)42-27-41-37;1-43(2)22-23-45-31-15-9-14-30(24-31)42-37(44)41-29-18-16-26(17-19-29)20-21-38-35-33-32(27-10-5-3-6-11-27)34(28-12-7-4-8-13-28)46-36(33)40-25-39-35/h2-18,27-28H,19-26H2,1H3,(H,41,42,43)(H2,44,45,48);2-19,28H,20-27H2,1H3,(H,41,42,43)(H2,44,45,48);1-2,4-7,10-20,27-28H,3,8-9,21-26H2,(H,41,42,43)(H2,44,45,47);1-17,26-27H,18-25H2,(H,40,41,42)(H2,43,44,46);5-21,26-27H,3-4,22-25H2,1-2H3,(H,40,41,42)(H2,43,44,46);3-19,24-25H,20-23H2,1-2H3,(H,38,39,40)(H2,41,42,44).
What are the key properties of 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea?
1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea has a molecular weight of 3896.72 g/mol, XLogP of 47.62, 74 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(diethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[3-[2-(dimethylamino)ethoxy]phenyl]-3-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea;1-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-3-[3-(2-piperidin-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 159381987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).