About (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one
(6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one (PubChem CID 159253608) has the molecular formula C91H93ClFN21O5S5
and a molecular weight of 1775.67 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one (CID 159253608) is (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one is CC(C)N1CCC([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)CC1.CN1C(=O)C[C@@](C)(c2cc(-c3ccc(Cl)s3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3ccc(F)c(C#N)c3)c(C#N)s2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3ccccc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cnc(-c3cccc(C#N)c3)s2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one?
The InChIKey is KVPMSMJDWMSXFX-MJKCZERTSA-N. The full InChI is InChI=1S/C25H31N5OS.C18H14FN5OS.C18H19N3O.C16H15N5OS.C14H14ClN3OS2/c1-16(2)30-10-8-18(9-11-30)22-23(31)29(4)24(27)28-25(22,3)21-13-20(15-32-21)19-7-5-6-17(12-19)14-26;1-18(7-16(25)24(2)17(22)23-18)15-6-12(14(9-21)26-15)10-3-4-13(19)11(5-10)8-20;1-18(12-16(22)21(2)17(19)20-18)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-16(7-13(22)21(2)15(18)20-16)12-9-19-14(23-12)11-5-3-4-10(6-11)8-17;1-14(6-12(19)18(2)13(16)17-14)10-5-8(7-20-10)9-3-4-11(15)21-9/h5-7,12-13,15-16,18,22H,8-11H2,1-4H3,(H2,27,28);3-6H,7H2,1-2H3,(H2,22,23);3-11H,12H2,1-2H3,(H2,19,20);3-6,9H,7H2,1-2H3,(H2,18,20);3-5,7H,6H2,1-2H3,(H2,16,17)/t22-,25-;2*18-;16-;14-/m10000/s1.
What are the key properties of (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one?
(6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one has a molecular weight of 1775.67 g/mol, XLogP of 15.06, 12 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(5-chlorothiophen-2-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(1-propan-2-ylpiperidin-4-yl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-(3-cyano-4-fluorophenyl)thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(3-phenylphenyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 159253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).