3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide

C117H137IN26O10S6 — CID 160998115

About 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide

3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 160998115) has the molecular formula C117H137IN26O10S6 and a molecular weight of 2386.86 g/mol. Its IUPAC name is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide
• PubChem CID: 160998115
• Molecular Formula: C117H137IN26O10S6
• Molecular Weight: 2386.86 g/mol
• Exact Mass: 2384.84
• IUPAC Name: 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccs2)cc1.CC[C@@]1(c2cc(-c3cncnc3)cs2)CC(=O)N(C)C(N)=N1.CCc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1I.CN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3cccs3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(C#N)c2)N=C1N
• InChI: InChI=1S/C24H22N4O2.2C19H23N3OS.C15H17N5OS.C15H22N4O3S2.C13H14N4O.C12H16IN3OS/c1-17(29)26-21-14-8-9-18(15-21)16-28-22(30)24(27-23(28)25,19-10-4-2-5-11-19)20-12-6-3-7-13-20;2*1-12(2)13-7-9-14(10-8-13)16-17(23)22(4)18(20)21-19(16,3)15-6-5-11-24-15;1-3-15(5-13(21)20(2)14(16)19-15)12-4-10(8-22-12)11-6-17-9-18-7-11;1-15(9-12(20)18(2)14(16)17-15)11-5-3-7-19(10-11)24(21,22)13-6-4-8-23-13;1-13(7-11(18)17(2)12(15)16-13)10-5-3-4-9(6-10)8-14;1-4-7-5-8(18-10(7)13)12(2)6-9(17)16(3)11(14)15-12/h2-15H,16H2,1H3,(H2,25,27)(H,26,29);2*5-12,16H,1-4H3,(H2,20,21);4,6-9H,3,5H2,1-2H3,(H2,16,19);4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,16,17);3-6H,7H2,1-2H3,(H2,15,16);5H,4,6H2,1-3H3,(H2,14,15)/t;16-,19+;16-,19-;15-;11?,15-;13-;12-/m.010000/s1
• InChIKey: TVMZHFPHNVFJJV-VMATUTBASA-N
• XLogP: 16.89
• TPSA: 526.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2386.86
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide (CID 160998115) is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The canonical SMILES for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cccs2)cc1.CC[C@@]1(c2cc(-c3cncnc3)cs2)CC(=O)N(C)C(N)=N1.CCc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1I.CN1C(=O)C[C@@](C)(C2CCCN(S(=O)(=O)c3cccs3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(C#N)c2)N=C1N.

What is the InChIKey of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

The InChIKey is TVMZHFPHNVFJJV-VMATUTBASA-N. The full InChI is InChI=1S/C24H22N4O2.2C19H23N3OS.C15H17N5OS.C15H22N4O3S2.C13H14N4O.C12H16IN3OS/c1-17(29)26-21-14-8-9-18(15-21)16-28-22(30)24(27-23(28)25,19-10-4-2-5-11-19)20-12-6-3-7-13-20;2*1-12(2)13-7-9-14(10-8-13)16-17(23)22(4)18(20)21-19(16,3)15-6-5-11-24-15;1-3-15(5-13(21)20(2)14(16)19-15)12-4-10(8-22-12)11-6-17-9-18-7-11;1-15(9-12(20)18(2)14(16)17-15)11-5-3-7-19(10-11)24(21,22)13-6-4-8-23-13;1-13(7-11(18)17(2)12(15)16-13)10-5-3-4-9(6-10)8-14;1-4-7-5-8(18-10(7)13)12(2)6-9(17)16(3)11(14)15-12/h2-15H,16H2,1H3,(H2,25,27)(H,26,29);2*5-12,16H,1-4H3,(H2,20,21);4,6-9H,3,5H2,1-2H3,(H2,16,19);4,6,8,11H,3,5,7,9-10H2,1-2H3,(H2,16,17);3-6H,7H2,1-2H3,(H2,15,16);5H,4,6H2,1-3H3,(H2,14,15)/t;16-,19+;16-,19-;15-;11?,15-;13-;12-/m.010000/s1.

What are the key properties of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide?

3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 2386.86 g/mol, XLogP of 16.89, 20 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-(4-propan-2-ylphenyl)-6-thiophen-2-yl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-ethyl-5-iodothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-ethyl-3-methyl-6-(4-pyrimidin-5-ylthiophen-2-yl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 160998115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).