About 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione
1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione (PubChem CID 158482300) has the molecular formula C165H175F4N35O28S
and a molecular weight of 3204.49 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione.
Frequently Asked Questions
What is the IUPAC name of 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione?
The IUPAC name of 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione (CID 158482300) is 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione.
What is the SMILES notation for 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione?
The canonical SMILES for 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione is CCCCCCn1c(=O)n(CCCCc2noc(-c3ccccn3)n2)c(=O)c2nc(C(F)F)[nH]c(=O)c21.Cc1ccccc1OCCCOc1nc2c(=O)n(CCCCc3noc(-c4ccccn4)n3)c(=O)n(CCC3CCC(F)(F)CC3)c2c(=O)[nH]1.Cc1ccccc1OCCCOc1nc2c(=O)n(CCCCc3noc(-c4ccccn4)n3)c(=O)n(CCC3CCCC3)c2c(=O)[nH]1.Cc1ccccc1OCCCOc1nc2c(=O)n(CCCCc3noc(-c4ccccn4)n3)c(=O)n(CCCc3cccs3)c2c(=O)[nH]1.Cc1ccccc1OCCCOc1nc2c(=O)n(CCCCc3noc(-c4ccccn4)n3)c(=O)n(Cc3cccc4ccccc34)c2c(=O)[nH]1.
What is the InChIKey of 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione?
The InChIKey is HHQYJEBQFYUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N7O6.C35H39F2N7O6.C34H35N7O6S.C34H39N7O6.C24H27F2N7O4/c1-25-12-2-5-18-30(25)49-22-11-23-50-37-41-32-33(34(46)42-37)45(24-27-15-10-14-26-13-3-4-16-28(26)27)38(48)44(36(32)47)21-9-7-19-31-40-35(51-43-31)29-17-6-8-20-39-29;1-23-9-2-3-11-26(23)48-21-8-22-49-33-40-28-29(30(45)41-33)43(20-15-24-13-16-35(36,37)17-14-24)34(47)44(32(28)46)19-7-5-12-27-39-31(50-42-27)25-10-4-6-18-38-25;1-23-11-2-3-15-26(23)45-20-10-21-46-33-37-28-29(30(42)38-33)40(19-8-12-24-13-9-22-48-24)34(44)41(32(28)43)18-7-5-16-27-36-31(47-39-27)25-14-4-6-17-35-25;1-23-11-2-5-15-26(23)45-21-10-22-46-33-37-28-29(30(42)38-33)40(20-17-24-12-3-4-13-24)34(44)41(32(28)43)19-9-7-16-27-36-31(47-39-27)25-14-6-8-18-35-25;1-2-3-4-8-13-32-18-17(29-20(19(25)26)30-21(18)34)23(35)33(24(32)36)14-9-6-11-16-28-22(37-31-16)15-10-5-7-12-27-15/h2-6,8,10,12-18,20H,7,9,11,19,21-24H2,1H3,(H,41,42,46);2-4,6,9-11,18,24H,5,7-8,12-17,19-22H2,1H3,(H,40,41,45);2-4,6,9,11,13-15,17,22H,5,7-8,10,12,16,18-21H2,1H3,(H,37,38,42);2,5-6,8,11,14-15,18,24H,3-4,7,9-10,12-13,16-17,19-22H2,1H3,(H,37,38,42);5,7,10,12,19H,2-4,6,8-9,11,13-14H2,1H3,(H,29,30,34).
What are the key properties of 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione?
1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione has a molecular weight of 3204.49 g/mol, XLogP of 22.41, 72 rotatable bonds, 5 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;1-[2-(4,4-difluorocyclohexyl)ethyl]-6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-(difluoromethyl)-1-hexyl-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-1-(naphthalen-1-ylmethyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione;6-[3-(2-methylphenoxy)propoxy]-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-1-(3-thiophen-2-ylpropyl)-7H-pyrimido[5,4-d]pyrimidine-2,4,8-trione is sourced from PubChem (CID 158482300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).