About (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one
(6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one (PubChem CID 160720550) has the molecular formula C132H141Br3F8N26O8S3
and a molecular weight of 2707.65 g/mol. Its IUPAC name is (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one (CID 160720550) is (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one is C=CC[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cc(Br)cs1.C=CC[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cc(Br)cs1.CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccnc(-c3cccnc3F)c2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccnc(-c3cccnc3F)c2)cc1.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2F)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2ccccc2F)N=C1N.COc1ccc(C2C(=O)N(C)C(N)=N[C@]2(C)c2cnc(Br)s2)cc1.
What is the InChIKey of (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The InChIKey is RTAVFKPVRXLIER-LUQJENBVSA-N. The full InChI is InChI=1S/2C25H26FN5O.2C20H20F3N3O.C16H17BrN4O2S.2C13H16BrN3OS/c2*1-15(2)16-7-9-17(10-8-16)21-23(32)31(4)24(27)30-25(21,3)18-11-13-28-20(14-18)19-6-5-12-29-22(19)26;2*1-19(14-6-4-5-7-15(14)21)16(17(27)26(3)18(24)25-19)12-8-10-13(11-9-12)20(2,22)23;1-16(11-8-19-14(17)24-11)12(13(22)21(2)15(18)20-16)9-4-6-10(23-3)7-5-9;2*1-4-5-9-11(18)17(3)12(15)16-13(9,2)10-6-8(14)7-19-10/h2*5-15,21H,1-4H3,(H2,27,30);2*4-11,16H,1-3H3,(H2,24,25);4-8,12H,1-3H3,(H2,18,20);2*4,6-7,9H,1,5H2,2-3H3,(H2,15,16)/t21-,25+;21-,25-;16-,19+;16-,19-;12?,16-;9-,13+;9-,13-/m0101110/s1.
What are the key properties of (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
(6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one has a molecular weight of 2707.65 g/mol, XLogP of 23.94, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(2-bromo-1,3-thiazol-5-yl)-5-(4-methoxyphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-prop-2-enyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(2-fluoro-3-pyridinyl)-4-pyridinyl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 160720550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).