About (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (PubChem CID 159514343) has the molecular formula C106H100F12N18O5S
and a molecular weight of 1966.13 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.
Frequently Asked Questions
What is the IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (CID 159514343) is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.
What is the SMILES notation for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The canonical SMILES for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is CCn1cc2cc([C@H]3C(=O)N(C)C(N)=N[C@]3(C)c3cc(-c4cccc(C#N)c4)cs3)ccc2n1.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2c(F)cccc2F)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(F)c2)N=C1N.
What is the InChIKey of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
The InChIKey is MAZMADSROCXNEB-OONCYUHFSA-N. The full InChI is InChI=1S/C26H24N6OS.2C21H22FN3O.2C19H16F5N3O/c1-4-32-14-19-11-18(8-9-21(19)30-32)23-24(33)31(3)25(28)29-26(23,2)22-12-20(15-34-22)17-7-5-6-16(10-17)13-27;2*1-21(16-4-3-5-17(22)12-16)18(19(26)25(2)20(23)24-21)15-10-8-14(9-11-15)13-6-7-13;2*1-18(15-12(20)4-3-5-13(15)21)14(16(28)27(2)17(25)26-18)10-6-8-11(9-7-10)19(22,23)24/h5-12,14-15,23H,4H2,1-3H3,(H2,28,29);2*3-5,8-13,18H,6-7H2,1-2H3,(H2,23,24);2*3-9,14H,1-2H3,(H2,25,26)/t23-,26+;18-,21+;18-,21-;14-,18+;14-,18-/m00110/s1.
What are the key properties of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile has a molecular weight of 1966.13 g/mol, XLogP of 18.96, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2,6-difluorophenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(2-ethylindazol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is sourced from PubChem (CID 159514343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).