About (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
(5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 158401418) has the molecular formula C123H127Br4F4N27O9S2
and a molecular weight of 2587.29 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.
Frequently Asked Questions
What is the IUPAC name of (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (CID 158401418) is (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2sccc2Br)N=C1N.COc1cccc(NC(=O)Nc2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.C[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cccc(Br)c2)nn1C.C[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cccc(Br)c2)nn1C.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is GYDKFDFXXYOGCI-YOSGNDAGSA-N. The full InChI is InChI=1S/C29H28N6O2.C24H23N5O3.2C18H18BrF2N3OS.2C17H20BrN5O/c30-28-33-29(24-11-3-1-4-12-24,25-13-5-2-6-14-25)27(37)35(28)20-22-9-7-10-23(19-22)26(36)32-15-8-17-34-18-16-31-21-34;1-29-21(30)24(28-22(29)25,16-8-4-3-5-9-16)17-10-6-11-18(14-17)26-23(31)27-19-12-7-13-20(15-19)32-2;2*1-17(14-12(19)8-9-26-14)13(15(25)24(3)16(22)23-17)10-4-6-11(7-5-10)18(2,20)21;2*1-10-15(24)22(3)16(19)20-17(10,2)14-9-13(21-23(14)4)11-6-5-7-12(18)8-11/h1-7,9-14,16,18-19,21H,8,15,17,20H2,(H2,30,33)(H,32,36);3-15H,1-2H3,(H2,25,28)(H2,26,27,31);2*4-9,13H,1-3H3,(H2,22,23);2*5-10H,1-4H3,(H2,19,20)/t;;13-,17+;13-,17-;10-,17+;10-,17-/m..1010/s1.
What are the key properties of (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
(5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 2587.29 g/mol, XLogP of 20.46, 24 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[3-(3-bromophenyl)-1-methylpyrazol-5-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-bromothiophen-2-yl)-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 158401418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).