(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide

C142H140Br2N22O9S2 — CID 158446014

About (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide

(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide (PubChem CID 158446014) has the molecular formula C142H140Br2N22O9S2 and a molecular weight of 2522.77 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide
• PubChem CID: 158446014
• Molecular Formula: C142H140Br2N22O9S2
• Molecular Weight: 2522.77 g/mol
• Exact Mass: 2518.90
• IUPAC Name: (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide
• SMILES: CN1C(=O)C[C@@](C)(c2cc(Cc3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(Br)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(Br)c2)N=C1N.COc1ccc2c(c1)CC[C@@]21C(=O)N(C)C(N)=N[C@]1(C)c1ccc(-c2cccc(C#N)c2)s1.COc1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.[H]/N=C1\CC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)CCc1ccccc1
• InChI: InChI=1S/C29H25N3O2.C29H31N3O2.C26H24N4O2S.2C20H21BrN4O.C18H18N4OS/c1-34-26-17-9-12-23(19-26)22-11-8-10-21(18-22)20-32-27(33)29(31-28(32)30,24-13-4-2-5-14-24)25-15-6-3-7-16-25;30-26-22-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)28(34)32(26)21-11-10-20-31-27(33)19-18-23-12-4-1-5-13-23;1-25(22-10-9-21(33-22)18-6-4-5-16(13-18)15-27)26(23(31)30(2)24(28)29-25)12-11-17-14-19(32-3)7-8-20(17)26;2*1-20(15-9-10-23-16(21)11-15)17(18(26)25(2)19(22)24-20)14-7-5-13(6-8-14)12-3-4-12;1-18(9-16(23)22(2)17(20)21-18)15-8-14(11-24-15)7-12-4-3-5-13(6-12)10-19/h2-19H,20H2,1H3,(H2,30,31);1-9,12-17,30H,10-11,18-22H2,(H,31,33);4-10,13-14H,11-12H2,1-3H3,(H2,28,29);2*5-12,17H,3-4H2,1-2H3,(H2,22,24);3-6,8,11H,7,9H2,1-2H3,(H2,20,21)/b;30-26+;;;;/t;;25-,26+;17-,20+;17-,20-;18-/m..1010/s1
• InChIKey: HDKDDLHPMZFCOQ-QCOLXIRZSA-N
• XLogP: 23.47
• TPSA: 458.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2522.77
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide?

The IUPAC name of (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide (CID 158446014) is (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide.

What is the SMILES notation for (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide?

The canonical SMILES for (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide is CN1C(=O)C[C@@](C)(c2cc(Cc3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(Br)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(Br)c2)N=C1N.COc1ccc2c(c1)CC[C@@]21C(=O)N(C)C(N)=N[C@]1(C)c1ccc(-c2cccc(C#N)c2)s1.COc1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.[H]/N=C1\CC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)CCc1ccccc1.

What is the InChIKey of (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide?

The InChIKey is HDKDDLHPMZFCOQ-QCOLXIRZSA-N. The full InChI is InChI=1S/C29H25N3O2.C29H31N3O2.C26H24N4O2S.2C20H21BrN4O.C18H18N4OS/c1-34-26-17-9-12-23(19-26)22-11-8-10-21(18-22)20-32-27(33)29(31-28(32)30,24-13-4-2-5-14-24)25-15-6-3-7-16-25;30-26-22-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)28(34)32(26)21-11-10-20-31-27(33)19-18-23-12-4-1-5-13-23;1-25(22-10-9-21(33-22)18-6-4-5-16(13-18)15-27)26(23(31)30(2)24(28)29-25)12-11-17-14-19(32-3)7-8-20(17)26;2*1-20(15-9-10-23-16(21)11-15)17(18(26)25(2)19(22)24-20)14-7-5-13(6-8-14)12-3-4-12;1-18(9-16(23)22(2)17(20)21-18)15-8-14(11-24-15)7-12-4-3-5-13(6-12)10-19/h2-19H,20H2,1H3,(H2,30,31);1-9,12-17,30H,10-11,18-22H2,(H,31,33);4-10,13-14H,11-12H2,1-3H3,(H2,28,29);2*5-12,17H,3-4H2,1-2H3,(H2,22,24);3-6,8,11H,7,9H2,1-2H3,(H2,20,21)/b;30-26+;;;;/t;;25-,26+;17-,20+;17-,20-;18-/m..1010/s1.

What are the key properties of (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide?

(5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide has a molecular weight of 2522.77 g/mol, XLogP of 23.47, 28 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(2-bromo-4-pyridinyl)-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;3-[5-[(3R,4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-2-yl]benzonitrile;2-amino-3-[[3-(3-methoxyphenyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;N-[4-(5-imino-2-oxo-3,3-diphenylpyrrolidin-1-yl)butyl]-3-phenylpropanamide is sourced from PubChem (CID 158446014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).