About 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol (PubChem CID 161423606) has the molecular formula C179H215FN60O3S
and a molecular weight of 3306.17 g/mol. Its IUPAC name is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol.
Frequently Asked Questions
What is the IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol?
The IUPAC name of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol (CID 161423606) is 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol.
What is the SMILES notation for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol?
The canonical SMILES for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol is CC(C)(O)CN1CCc2ccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)cc2C1.CC(C)(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4ccc(N5CCC[C@@H](O)C5)cc4)n3)CC2)nc1.CN(C)C1CCN(Cc2cccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)c2)C1.CN(C)[C@@H]1CCN(Cc2cccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)c2)C1.CN(C)[C@H]1CCN(Cc2cccc(Nc3ncnc(N4CCN(c5ncc(Cc6ccccc6)cn5)CC4)n3)c2)C1.Fc1ccc(Sc2ncc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nn2)cc1.
What is the InChIKey of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol?
The InChIKey is VXBFPEYLDCKOHV-NKMJFJPVSA-N. The full InChI is InChI=1S/3C31H38N10.2C31H37N9O.C24H27FN12OS/c3*1-38(2)28-11-12-39(22-28)21-25-9-6-10-27(18-25)36-29-34-23-35-31(37-29)41-15-13-40(14-16-41)30-32-19-26(20-33-30)17-24-7-4-3-5-8-24;1-31(2,23-7-4-3-5-8-23)24-19-32-29(33-20-24)38-15-17-39(18-16-38)30-35-22-34-28(37-30)36-25-10-12-26(13-11-25)40-14-6-9-27(41)21-40;1-31(2,41)21-38-11-10-25-8-9-27(17-26(25)20-38)36-28-34-22-35-30(37-28)40-14-12-39(13-15-40)29-32-18-24(19-33-29)16-23-6-4-3-5-7-23;25-17-1-3-20(4-2-17)39-24-27-13-21(33-34-24)35-6-8-36(9-7-35)23-29-16-28-22(32-23)31-18-11-30-37(14-18)15-19-12-26-5-10-38-19/h3*3-10,18-20,23,28H,11-17,21-22H2,1-2H3,(H,34,35,36,37);3-5,7-8,10-13,19-20,22,27,41H,6,9,14-18,21H2,1-2H3,(H,34,35,36,37);3-9,17-19,22,41H,10-16,20-21H2,1-2H3,(H,34,35,36,37);1-4,11,13-14,16,19,26H,5-10,12,15H2,(H,28,29,31,32)/t2*28-;;27-;;19-/m10.1.0/s1.
What are the key properties of 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol?
4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol has a molecular weight of 3306.17 g/mol, XLogP of 19.45, 50 rotatable bonds, 9 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[3-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-1,3,5-triazin-2-amine;1-[7-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-methylpropan-2-ol;4-[4-[3-(4-fluorophenyl)sulfanyl-1,2,4-triazin-6-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(3R)-1-[4-[[4-[4-[5-(2-phenylpropan-2-yl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]piperidin-3-ol is sourced from PubChem (CID 161423606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).