About 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 158504167) has the molecular formula C133H150N36O8S9
and a molecular weight of 2669.51 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 158504167) is 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CC1=CC(Nc2nc(NCCO)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCCC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCCCC3)n2)=NC1.Cc1cnc(Nc2nc(NCCO)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCCC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCCCC3)n2)s1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The InChIKey is HKGOKRCLWBHBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6OS.C23H26N6OS2.C23H26N6OS.C22H24N6OS2.C21H24N6O2S.C20H22N6O2S2/c1-16-13-21(25-15-16)26-22-27-23(30-11-3-2-4-12-30)29-24(28-22)32-19-9-5-17(6-10-19)14-20(31)18-7-8-18;1-15-14-24-22(31-15)26-20-25-21(29-11-3-2-4-12-29)28-23(27-20)32-18-9-5-16(6-10-18)13-19(30)17-7-8-17;1-15-12-20(24-14-15)25-21-26-22(29-10-2-3-11-29)28-23(27-21)31-18-8-4-16(5-9-18)13-19(30)17-6-7-17;1-14-13-23-21(30-14)25-19-24-20(28-10-2-3-11-28)27-22(26-19)31-17-8-4-15(5-9-17)12-18(29)16-6-7-16;1-13-10-18(23-12-13)24-20-25-19(22-8-9-28)26-21(27-20)30-16-6-2-14(3-7-16)11-17(29)15-4-5-15;1-12-11-22-19(29-12)25-18-23-17(21-8-9-27)24-20(26-18)30-15-6-2-13(3-7-15)10-16(28)14-4-5-14/h5-6,9-10,13,18H,2-4,7-8,11-12,14-15H2,1H3,(H,25,26,27,28,29);5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3,(H,24,25,26,27,28);4-5,8-9,12,17H,2-3,6-7,10-11,13-14H2,1H3,(H,24,25,26,27,28);4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,23,24,25,26,27);2-3,6-7,10,15,28H,4-5,8-9,11-12H2,1H3,(H2,22,23,24,25,26,27);2-3,6-7,11,14,27H,4-5,8-10H2,1H3,(H2,21,22,23,24,25,26).
What are the key properties of 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2669.51 g/mol, XLogP of 24.09, 49 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-methyl-2H-pyrrol-5-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(2-hydroxyethylamino)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-piperidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 158504167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).