About 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one
1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one (PubChem CID 157111693) has the molecular formula C126H138N36O6S9
and a molecular weight of 2541.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one (CID 157111693) is 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one is CCC(=O)Cc1ccc(Sc2nc(NCCN(C)C)nc(NC3=NCC=C3)n2)cc1.CCC(=O)Cc1ccc(Sc2nc(NCCN(C)C)nc(Nc3nccs3)n2)cc1.CCc1nc(NC2=NCC(C)=C2C#N)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.CCc1nc(NC2=NCC=C2C2CC2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.CCc1nc(Nc2nc(C)cs2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.CCc1nc(Nc2ncc(C#N)s2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one?
The InChIKey is AGXUZJRPTYGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS.C22H22N6OS.C21H27N7OS.C20H25N7OS2.C20H18N6OS2.C20H21N5OS2/c1-2-20-25-22(27-21-18(11-12-24-21)15-5-6-15)28-23(26-20)30-17-9-3-14(4-10-17)13-19(29)16-7-8-16;1-3-19-25-21(27-20-17(11-23)13(2)12-24-20)28-22(26-19)30-16-8-4-14(5-9-16)10-18(29)15-6-7-15;1-4-16(29)14-15-7-9-17(10-8-15)30-21-26-19(23-12-13-28(2)3)25-20(27-21)24-18-6-5-11-22-18;1-4-15(28)13-14-5-7-16(8-6-14)30-20-24-17(21-9-11-27(2)3)23-18(26-20)25-19-22-10-12-29-19;1-2-17-23-18(25-19-22-11-15(10-21)29-19)26-20(24-17)28-14-7-3-12(4-8-14)9-16(27)13-5-6-13;1-3-17-22-18(24-19-21-12(2)11-27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h3-4,9-11,15-16H,2,5-8,12-13H2,1H3,(H,24,25,26,27,28);4-5,8-9,15H,3,6-7,10,12H2,1-2H3,(H,24,25,26,27,28);5-10H,4,11-14H2,1-3H3,(H2,22,23,24,25,26,27);5-8,10,12H,4,9,11,13H2,1-3H3,(H2,21,22,23,24,25,26);3-4,7-8,11,13H,2,5-6,9H2,1H3,(H,22,23,24,25,26);4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25).
What are the key properties of 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one?
1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one has a molecular weight of 2541.34 g/mol, XLogP of 23.45, 52 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-[(4-cyclopropyl-2H-pyrrol-5-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;5-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-2H-pyrrole-4-carbonitrile;2-[[4-[4-(2-cyclopropyl-2-oxoethyl)phenyl]sulfanyl-6-ethyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carbonitrile;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(2H-pyrrol-5-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one;1-[4-[[4-[2-(dimethylamino)ethylamino]-6-(1,3-thiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]butan-2-one is sourced from PubChem (CID 157111693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).