About 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 158348786) has the molecular formula C102H106N18O5S3
and a molecular weight of 1760.29 g/mol. Its IUPAC name is 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one (CID 158348786) is 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(CCCc2ccccc2)(n2cccn2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(N4CCCCC4)c3)c2)N=C1N.COc1cccc(-c2ccc(C3(c4ccccc4)N=C(N)N(C)C3=O)s2)c1.Cc1cccc(N2CCC([C@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)CC2)c1.
What is the InChIKey of 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is GSBFHLYDROBQEV-OTPXGVOMSA-N. The full InChI is InChI=1S/C29H28N6OS.C29H31N5OS.C23H28N4O.C21H19N3O2S/c1-28(25-18-24(20-37-25)23-13-6-11-22(17-23)19-30)29(35-16-8-15-32-35,26(36)34(2)27(31)33-28)14-7-12-21-9-4-3-5-10-21;1-19-6-4-9-24(14-19)34-12-10-21(11-13-34)26-27(35)33(3)28(31)32-29(26,2)25-16-23(18-36-25)22-8-5-7-20(15-22)17-30;1-23(16-21(28)26(2)22(24)25-23)19-10-6-8-17(14-19)18-9-7-11-20(15-18)27-12-4-3-5-13-27;1-24-19(25)21(23-20(24)22,15-8-4-3-5-9-15)18-12-11-17(27-18)14-7-6-10-16(13-14)26-2/h3-6,8-11,13,15-18,20H,7,12,14H2,1-2H3,(H2,31,33);4-9,14-16,18,21,26H,10-13H2,1-3H3,(H2,31,32);6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,24,25);3-13H,1-2H3,(H2,22,23)/t28-,29?;26-,29+;23-;/m100./s1.
What are the key properties of 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one?
3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 1760.29 g/mol, XLogP of 17.22, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4S,5R)-2-amino-1,4-dimethyl-5-[1-(3-methylphenyl)piperidin-4-yl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5-pyrazol-1-ylpyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[3-(3-piperidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[5-(3-methoxyphenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 158348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).