About 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine
4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine (PubChem CID 160854369) has the molecular formula C217H266Cl2N42S2
and a molecular weight of 3597.85 g/mol. Its IUPAC name is 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine.
Frequently Asked Questions
What is the IUPAC name of 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine (CID 160854369) is 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine is CCCCc1cc(NCCC)cc(C2[C@@H](c3ccccc3)C(c3cc(NCCC)cc(NCCC)n3)[C@@H]2c2ccccc2)n1.CCCCc1nc(NCCC)cc(C2[C@@H](c3ccccc3)C(c3cc(NCCC)nc(NCCC)n3)[C@@H]2c2ccccc2)n1.CCCCc1nc(NCCC)cc(C2[C@@H](c3ccccn3)C(c3cc(NCCC)nc(NCCC)n3)[C@@H]2c2ccccn2)n1.CCCNc1cc([C@@H]2[C@H](c3ccccn3)[C@@H](c3ccccn3)[C@H]2c2cc(NCCC)nc(NCCC)n2)nc(CCC)n1.Cc1nc(Cl)cc(C2[C@@H](c3ccccc3)C(c3cc(NCC(C)C)nc(Cl)n3)[C@@H]2c2ccccc2)n1.NCCSc1cc(C2[C@@H](c3ccccc3)C(c3cc(SCCN)nc(NCc4ccccc4)n3)[C@@H]2c2ccccc2)nc(CCc2ccccc2)n1.
What is the InChIKey of 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine?
The InChIKey is SJRGISSXUXKTGD-RMIPEFEZSA-N. The full InChI is InChI=1S/C43H45N7S2.C39H51N5.C37H49N7.C35H47N9.C34H45N9.C29H29Cl2N5/c44-23-25-51-37-27-34(47-36(49-37)22-21-30-13-5-1-6-14-30)41-39(32-17-9-3-10-18-32)42(40(41)33-19-11-4-12-20-33)35-28-38(52-26-24-45)50-43(48-35)46-29-31-15-7-2-8-16-31;1-5-9-20-30-24-31(40-21-6-2)25-33(43-30)38-36(28-16-12-10-13-17-28)39(37(38)29-18-14-11-15-19-29)34-26-32(41-22-7-3)27-35(44-34)42-23-8-4;1-5-9-20-30-41-28(24-31(43-30)38-21-6-2)35-33(26-16-12-10-13-17-26)36(34(35)27-18-14-11-15-19-27)29-25-32(39-22-7-3)44-37(42-29)40-23-8-4;1-5-9-16-28-41-26(22-29(43-28)38-17-6-2)33-31(24-14-10-12-20-36-24)34(32(33)25-15-11-13-21-37-25)27-23-30(39-18-7-3)44-35(42-27)40-19-8-4;1-5-13-27-40-25(21-28(42-27)37-16-6-2)32-30(23-14-9-11-19-35-23)31(24-15-10-12-20-36-24)33(32)26-22-29(38-17-7-3)43-34(41-26)39-18-8-4;1-17(2)16-32-24-15-22(35-29(31)36-24)28-25(19-10-6-4-7-11-19)27(21-14-23(30)34-18(3)33-21)26(28)20-12-8-5-9-13-20/h1-20,27-28,39-42H,21-26,29,44-45H2,(H,46,48,50);10-19,24-27,36-39H,5-9,20-23H2,1-4H3,(H,40,43)(H2,41,42,44);10-19,24-25,33-36H,5-9,20-23H2,1-4H3,(H,38,41,43)(H2,39,40,42,44);10-15,20-23,31-34H,5-9,16-19H2,1-4H3,(H,38,41,43)(H2,39,40,42,44);9-12,14-15,19-22,30-33H,5-8,13,16-18H2,1-4H3,(H,37,40,42)(H2,38,39,41,43);4-15,17,25-28H,16H2,1-3H3,(H,32,35,36)/t39-,40-,41?,42?;36-,37-,38?,39?;33-,34-,35?,36?;31-,32-,33?,34?;30-,31-,32-,33-;25-,26-,27?,28?/m111111/s1.
What are the key properties of 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine?
4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine has a molecular weight of 3597.85 g/mol, XLogP of 48.11, 86 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylsulfanyl)-6-[(2R,4R)-3-[6-(2-aminoethylsulfanyl)-2-(2-phenylethyl)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-N-benzylpyrimidin-2-amine;6-[(2R,4R)-3-[6-butyl-4-(propylamino)-2-pyridinyl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyridine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-diphenylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;6-[(2R,4R)-3-[2-butyl-6-(propylamino)pyrimidin-4-yl]-2,4-dipyridin-2-ylcyclobutyl]-2-N,4-N-dipropylpyrimidine-2,4-diamine;2-chloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-N-(2-methylpropyl)pyrimidin-4-amine;2-N,4-N-dipropyl-6-[(1R,2R,3R,4R)-2-[2-propyl-6-(propylamino)pyrimidin-4-yl]-3,4-dipyridin-2-ylcyclobutyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160854369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).