5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile

C124H123BrF4N30O7S2 — CID 159382466

About 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile

5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile (PubChem CID 159382466) has the molecular formula C124H123BrF4N30O7S2 and a molecular weight of 2365.58 g/mol. Its IUPAC name is 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile
• PubChem CID: 159382466
• Molecular Formula: C124H123BrF4N30O7S2
• Molecular Weight: 2365.58 g/mol
• Exact Mass: 2362.88
• IUPAC Name: 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile
• SMILES: CN1C(=O)C(Br)[C@@](C)(c2cc(-c3cc(C#N)cc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cnn(C)c3)cs2)N=C1N.CN1C(=O)CC(c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CC2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C#N)c3)n(C)n2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(F)cc(F)c1
• InChI: InChI=1S/C22H23F2N5OS.C22H17F2N3O.C18H14BrN5OS.C18H20N4O.C18H16N4O.C17H18N6O.C9H15N3O/c1-21(17-9-14(12-31-17)15-10-26-28(3)11-15)18(19(30)29(4)20(25)27-21)13-5-7-16(8-6-13)22(2,23)24;23-18-11-15(12-19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-18(15(19)16(25)24(2)17(22)23-18)14-6-13(9-26-14)12-4-10(7-20)3-11(5-12)8-21;1-18(11-16(23)22(2)17(19)21-18)10-13-5-3-6-14(9-13)15-7-4-8-20-12-15;1-22-17(23)10-16(21-18(22)20)15-7-3-6-14(9-15)13-5-2-4-12(8-13)11-19;1-17(9-15(24)22(2)16(19)20-17)14-8-13(23(3)21-14)12-6-4-5-11(7-12)10-18;1-9(6-3-4-6)5-7(13)12(2)8(10)11-9/h5-12,18H,1-4H3,(H2,25,27);1-13H,14H2,(H2,25,26);3-6,9,15H,1-2H3,(H2,22,23);3-9,12H,10-11H2,1-2H3,(H2,19,21);2-9,16H,10H2,1H3,(H2,20,21);4-8H,9H2,1-3H3,(H2,19,20);6H,3-5H2,1-2H3,(H2,10,11)/t18?,21-;;15?,18-;18-;;17-;9-/m1.11.00/s1
• InChIKey: LLBYDGNGXUMBJN-YLJJNVEKSA-N
• XLogP: 16.89
• TPSA: 554.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.58
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile?

The IUPAC name of 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile (CID 159382466) is 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile.

What is the SMILES notation for 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile?

The canonical SMILES for 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile is CN1C(=O)C(Br)[C@@](C)(c2cc(-c3cc(C#N)cc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cc(-c3cnn(C)c3)cs2)N=C1N.CN1C(=O)CC(c2cccc(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C[C@@](C)(C2CC2)N=C1N.CN1C(=O)C[C@@](C)(Cc2cccc(-c3cccnc3)c2)N=C1N.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C#N)c3)n(C)n2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(F)cc(F)c1.

What is the InChIKey of 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile?

The InChIKey is LLBYDGNGXUMBJN-YLJJNVEKSA-N. The full InChI is InChI=1S/C22H23F2N5OS.C22H17F2N3O.C18H14BrN5OS.C18H20N4O.C18H16N4O.C17H18N6O.C9H15N3O/c1-21(17-9-14(12-31-17)15-10-26-28(3)11-15)18(19(30)29(4)20(25)27-21)13-5-7-16(8-6-13)22(2,23)24;23-18-11-15(12-19(24)13-18)14-27-20(28)22(26-21(27)25,16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-18(15(19)16(25)24(2)17(22)23-18)14-6-13(9-26-14)12-4-10(7-20)3-11(5-12)8-21;1-18(11-16(23)22(2)17(19)21-18)10-13-5-3-6-14(9-13)15-7-4-8-20-12-15;1-22-17(23)10-16(21-18(22)20)15-7-3-6-14(9-15)13-5-2-4-12(8-13)11-19;1-17(9-15(24)22(2)16(19)20-17)14-8-13(23(3)21-14)12-6-4-5-11(7-12)10-18;1-9(6-3-4-6)5-7(13)12(2)8(10)11-9/h5-12,18H,1-4H3,(H2,25,27);1-13H,14H2,(H2,25,26);3-6,9,15H,1-2H3,(H2,22,23);3-9,12H,10-11H2,1-2H3,(H2,19,21);2-9,16H,10H2,1H3,(H2,20,21);4-8H,9H2,1-3H3,(H2,19,20);6H,3-5H2,1-2H3,(H2,10,11)/t18?,21-;;15?,18-;18-;;17-;9-/m1.11.00/s1.

What are the key properties of 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile?

5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile has a molecular weight of 2365.58 g/mol, XLogP of 16.89, 18 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4R)-2-amino-5-bromo-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;(6S)-2-amino-6-cyclopropyl-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-3,6-dimethyl-6-[4-(1-methylpyrazol-4-yl)thiophen-2-yl]-5H-pyrimidin-4-one;2-amino-3-[(3,5-difluorophenyl)methyl]-5,5-diphenylimidazol-4-one;3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-5-yl]benzonitrile;(6R)-2-amino-3,6-dimethyl-6-[(3-pyridin-3-ylphenyl)methyl]-5H-pyrimidin-4-one;3-[3-(2-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-4-yl)phenyl]benzonitrile is sourced from PubChem (CID 159382466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).