(6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one

C120H127F6N25O6S2 — CID 159998825

About (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one

(6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one (PubChem CID 159998825) has the molecular formula C120H127F6N25O6S2 and a molecular weight of 2193.63 g/mol. Its IUPAC name is (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one
• PubChem CID: 159998825
• Molecular Formula: C120H127F6N25O6S2
• Molecular Weight: 2193.63 g/mol
• Exact Mass: 2191.97
• IUPAC Name: (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one
• SMILES: C/N=C1\NC(=O)C[C@]2(CCCc3ccc(-c4cccc(F)c4)cc32)N1.CCc1sc([C@@]2(C)N=C(N)N(C)C(=O)[C@@H]2CC)cc1-c1cccc(C#N)c1.CCc1sc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2CC)cc1-c1cccc(C#N)c1.CN1C(=O)C(c2ccc(C(F)(F)F)cn2)[C@@](C)(c2cc(F)cc(F)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3ncc(-c4ccncc4)n3c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(N4CCCC4)c3)c2)N=C1N
• InChI: InChI=1S/C22H26N4O.2C21H24N4OS.C20H20FN3O.C18H15F5N4O.C18H18N6O/c1-22(15-20(27)25(2)21(23)24-22)18-9-5-7-16(13-18)17-8-6-10-19(14-17)26-11-3-4-12-26;2*1-5-16-19(26)25(4)20(23)24-21(16,3)18-11-15(17(6-2)27-18)14-9-7-8-13(10-14)12-22;1-22-19-23-18(25)12-20(24-19)9-3-5-13-7-8-15(11-17(13)20)14-4-2-6-16(21)10-14;1-17(10-5-11(19)7-12(20)6-10)14(15(28)27(2)16(24)26-17)13-4-3-9(8-25-13)18(21,22)23;1-18(9-16(25)23(2)17(19)22-18)13-3-4-15-21-10-14(24(15)11-13)12-5-7-20-8-6-12/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H2,23,24);2*7-11,16H,5-6H2,1-4H3,(H2,23,24);2,4,6-8,10-11H,3,5,9,12H2,1H3,(H2,22,23,24,25);3-8,14H,1-2H3,(H2,24,26);3-8,10-11H,9H2,1-2H3,(H2,19,22)/t22-;16-,21+;16-,21-;20-;14?,17-;18-/m010010/s1
• InChIKey: OHXAYKHIQWVPCI-XWHQLNNNSA-N
• XLogP: 19.17
• TPSA: 440.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.63
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The IUPAC name of (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one (CID 159998825) is (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one.

What is the SMILES notation for (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The canonical SMILES for (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one is C/N=C1\NC(=O)C[C@]2(CCCc3ccc(-c4cccc(F)c4)cc32)N1.CCc1sc([C@@]2(C)N=C(N)N(C)C(=O)[C@@H]2CC)cc1-c1cccc(C#N)c1.CCc1sc([C@@]2(C)N=C(N)N(C)C(=O)[C@H]2CC)cc1-c1cccc(C#N)c1.CN1C(=O)C(c2ccc(C(F)(F)F)cn2)[C@@](C)(c2cc(F)cc(F)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3ncc(-c4ccncc4)n3c2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(-c3cccc(N4CCCC4)c3)c2)N=C1N.

What is the InChIKey of (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

The InChIKey is OHXAYKHIQWVPCI-XWHQLNNNSA-N. The full InChI is InChI=1S/C22H26N4O.2C21H24N4OS.C20H20FN3O.C18H15F5N4O.C18H18N6O/c1-22(15-20(27)25(2)21(23)24-22)18-9-5-7-16(13-18)17-8-6-10-19(14-17)26-11-3-4-12-26;2*1-5-16-19(26)25(4)20(23)24-21(16,3)18-11-15(17(6-2)27-18)14-9-7-8-13(10-14)12-22;1-22-19-23-18(25)12-20(24-19)9-3-5-13-7-8-15(11-17(13)20)14-4-2-6-16(21)10-14;1-17(10-5-11(19)7-12(20)6-10)14(15(28)27(2)16(24)26-17)13-4-3-9(8-25-13)18(21,22)23;1-18(9-16(25)23(2)17(19)22-18)13-3-4-15-21-10-14(24(15)11-13)12-5-7-20-8-6-12/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H2,23,24);2*7-11,16H,5-6H2,1-4H3,(H2,23,24);2,4,6-8,10-11H,3,5,9,12H2,1H3,(H2,22,23,24,25);3-8,14H,1-2H3,(H2,24,26);3-8,10-11H,9H2,1-2H3,(H2,19,22)/t22-;16-,21+;16-,21-;20-;14?,17-;18-/m010010/s1.

What are the key properties of (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one?

(6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one has a molecular weight of 2193.63 g/mol, XLogP of 19.17, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-(3,5-difluorophenyl)-3,6-dimethyl-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-4-ylimidazo[1,2-a]pyridin-6-yl)-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-ethyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-ethylthiophen-3-yl]benzonitrile;(6S)-6'-(3-fluorophenyl)-2-methyliminospiro[1,3-diazinane-6,4'-2,3-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 159998825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).