About 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane
4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane (PubChem CID 158653688) has the molecular formula C152H216N36O12
and a molecular weight of 2739.64 g/mol. Its IUPAC name is 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane.
Frequently Asked Questions
What is the IUPAC name of 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?
The IUPAC name of 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane (CID 158653688) is 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane.
What is the SMILES notation for 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?
The canonical SMILES for 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane is C.C.C.C.C.C.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C1(CC1)CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C=CC(=O)N2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCCC3)c1)CCC(=O)N2.Nc1nc(OC2CCCC2)nc2c1NC(=O)CCN2Cc1cccc(CN2CCCC2)c1.Nc1nc(OCC2CCC2)nc2c1NC(=O)CCN2Cc1cccc(CN2CCCC2)c1.Nc1nc(OCc2ccccc2)nc2c1NC(=O)CCN2Cc1cccc(CN2CCCC2)c1.
What is the InChIKey of 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?
The InChIKey is IBWCLULJXFPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.C25H34N6O2.2C24H32N6O2.C24H34N6O2.C23H30N6O2.6CH4/c27-24-23-25(30-26(29-24)34-18-19-7-2-1-3-8-19)32(14-11-22(33)28-23)17-21-10-6-9-20(15-21)16-31-12-4-5-13-31;1-2-3-13-33-24-28-22(26)21-23(29-24)31(25(9-10-25)15-20(32)27-21)17-19-8-6-7-18(14-19)16-30-11-4-5-12-30;25-22-21-23(28-24(27-22)32-16-17-5-3-6-17)30(12-9-20(31)26-21)15-19-8-4-7-18(13-19)14-29-10-1-2-11-29;25-22-21-23(28-24(27-22)32-19-8-1-2-9-19)30(13-10-20(31)26-21)16-18-7-5-6-17(14-18)15-29-11-3-4-12-29;1-2-3-14-32-24-27-22(25)21-23(28-24)30(13-10-20(31)26-21)17-19-9-7-8-18(15-19)16-29-11-5-4-6-12-29;1-2-3-13-31-23-26-21(24)20-22(27-23)29(12-9-19(30)25-20)16-18-8-6-7-17(14-18)15-28-10-4-5-11-28;;;;;;/h1-3,6-10,15H,4-5,11-14,16-18H2,(H,28,33)(H2,27,29,30);6-8,14H,2-5,9-13,15-17H2,1H3,(H,27,32)(H2,26,28,29);4,7-8,13,17H,1-3,5-6,9-12,14-16H2,(H,26,31)(H2,25,27,28);5-7,14,19H,1-4,8-13,15-16H2,(H,26,31)(H2,25,27,28);7-9,15H,2-6,10-14,16-17H2,1H3,(H,26,31)(H2,25,27,28);6-9,12,14H,2-5,10-11,13,15-16H2,1H3,(H,25,30)(H2,24,26,27);6*1H4.
What are the key properties of 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane?
4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane has a molecular weight of 2739.64 g/mol, XLogP of 24.50, 44 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-9-[[3-(piperidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]spiro[5,7-dihydropyrimido[4,5-b][1,4]diazepine-8,1'-cyclopropane]-6-one;4-amino-2-(cyclobutylmethoxy)-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-cyclopentyloxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;4-amino-2-phenylmethoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one;methane is sourced from PubChem (CID 158653688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).