(4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one

C119H128F11N25O8S3 — CID 158645123

About (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one

(4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one (PubChem CID 158645123) has the molecular formula C119H128F11N25O8S3 and a molecular weight of 2341.68 g/mol. Its IUPAC name is (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one.

Molecular Properties

• Compound Name: (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
• PubChem CID: 158645123
• Molecular Formula: C119H128F11N25O8S3
• Molecular Weight: 2341.68 g/mol
• Exact Mass: 2339.94
• IUPAC Name: (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
• SMILES: CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C#N)c3)nn2C)N=C1N.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cc(F)c(F)s2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@H](Nc3cccnc3)C2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccc(F)nc3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cc(F)c(F)s2)N=C1N.COc1cccc(-c2cccc([C@H]3N=C(N)N(CC4CCN(C(C)=O)C4)C(=O)C3(C)C)c2)c1
• InChI: InChI=1S/C26H32N4O3.C24H31N5O.C18H19FN4OS.2C17H14F5N3OS.C17H18N6O/c1-17(31)29-12-11-18(15-29)16-30-24(32)26(2,3)23(28-25(30)27)21-9-5-7-19(13-21)20-8-6-10-22(14-20)33-4;1-29-22(30)24(28-23(29)25,13-12-18-7-3-2-4-8-18)16-19-9-5-10-20(15-19)27-21-11-6-14-26-17-21;1-18(15(10-3-4-10)16(24)23(2)17(20)22-18)13-7-12(9-25-13)11-5-6-14(19)21-8-11;2*1-16(11-7-10(18)13(19)27-11)12(14(26)25(2)15(23)24-16)8-3-5-9(6-4-8)17(20,21)22;1-17(9-15(24)22(2)16(19)20-17)14-8-13(21-23(14)3)12-6-4-5-11(7-12)10-18/h5-10,13-14,18,23H,11-12,15-16H2,1-4H3,(H2,27,28);2-4,6-8,11,14,17,19-20,27H,5,9-10,12-13,15-16H2,1H3,(H2,25,28);5-10,15H,3-4H2,1-2H3,(H2,20,22);2*3-7,12H,1-2H3,(H2,23,24);4-8H,9H2,1-3H3,(H2,19,20)/t18?,23-;19-,20-,24+;15-,18+;12-,16+;12-,16-;17-/m100010/s1
• InChIKey: IAWDFKRYIUTHTQ-GBPNIZCRSA-N
• XLogP: 19.05
• TPSA: 461.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.68
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one?

The IUPAC name of (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one (CID 158645123) is (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one.

What is the SMILES notation for (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one?

The canonical SMILES for (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one is CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C#N)c3)nn2C)N=C1N.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cc(F)c(F)s2)N=C1N.CN1C(=O)[C@@](CCc2ccccc2)(C[C@H]2CCC[C@H](Nc3cccnc3)C2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2cc(-c3ccc(F)nc3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cc(F)c(F)s2)N=C1N.COc1cccc(-c2cccc([C@H]3N=C(N)N(CC4CCN(C(C)=O)C4)C(=O)C3(C)C)c2)c1.

What is the InChIKey of (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one?

The InChIKey is IAWDFKRYIUTHTQ-GBPNIZCRSA-N. The full InChI is InChI=1S/C26H32N4O3.C24H31N5O.C18H19FN4OS.2C17H14F5N3OS.C17H18N6O/c1-17(31)29-12-11-18(15-29)16-30-24(32)26(2,3)23(28-25(30)27)21-9-5-7-19(13-21)20-8-6-10-22(14-20)33-4;1-29-22(30)24(28-23(29)25,13-12-18-7-3-2-4-8-18)16-19-9-5-10-20(15-19)27-21-11-6-14-26-17-21;1-18(15(10-3-4-10)16(24)23(2)17(20)22-18)13-7-12(9-25-13)11-5-6-14(19)21-8-11;2*1-16(11-7-10(18)13(19)27-11)12(14(26)25(2)15(23)24-16)8-3-5-9(6-4-8)17(20,21)22;1-17(9-15(24)22(2)16(19)20-17)14-8-13(21-23(14)3)12-6-4-5-11(7-12)10-18/h5-10,13-14,18,23H,11-12,15-16H2,1-4H3,(H2,27,28);2-4,6-8,11,14,17,19-20,27H,5,9-10,12-13,15-16H2,1H3,(H2,25,28);5-10,15H,3-4H2,1-2H3,(H2,20,22);2*3-7,12H,1-2H3,(H2,23,24);4-8H,9H2,1-3H3,(H2,19,20)/t18?,23-;19-,20-,24+;15-,18+;12-,16+;12-,16-;17-/m100010/s1.

What are the key properties of (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one?

(4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one has a molecular weight of 2341.68 g/mol, XLogP of 19.05, 21 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-[(1-acetylpyrrolidin-3-yl)methyl]-2-amino-4-[3-(3-methoxyphenyl)phenyl]-5,5-dimethyl-4H-pyrimidin-6-one;(5R,6S)-2-amino-5-cyclopropyl-6-[4-(6-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(4,5-difluorothiophen-2-yl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzonitrile;(5R)-2-amino-3-methyl-5-(2-phenylethyl)-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one is sourced from PubChem (CID 158645123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).