5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione

C108H156N16O24Si4 — CID 160597586

About 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 160597586) has the molecular formula C108H156N16O24Si4 and a molecular weight of 2174.87 g/mol. Its IUPAC name is 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 160597586
• Molecular Formula: C108H156N16O24Si4
• Molecular Weight: 2174.87 g/mol
• Exact Mass: 2173.06
• IUPAC Name: 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: COc1cc(C(=O)N2CC=C(c3cn(C)c(=O)n(C)c3=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CC=C(c3cn(C)c(=O)n(C)c3=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(c3cn(C)c(=O)n(C)c3=O)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CCC(c3cn(C)c(=O)n(C)c3=O)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C
• InChI: InChI=1S/2C27H38N4O7Si.2C27H40N4O5Si/c2*1-17-12-22(31(35)36)20(14-23(17)37-7)25(33)30-11-10-18(21-15-28(5)26(34)29(6)24(21)32)13-19(30)16-38-39(8,9)27(2,3)4;2*1-17-12-22(28)20(14-23(17)35-7)25(33)31-11-10-18(21-15-29(5)26(34)30(6)24(21)32)13-19(31)16-36-37(8,9)27(2,3)4/h12-15,19H,10-11,16H2,1-9H3;10,12,14-15,19H,11,13,16H2,1-9H3;12-15,19H,10-11,16,28H2,1-9H3;10,12,14-15,19H,11,13,16,28H2,1-9H3/t4*19-/m0000/s1
• InChIKey: RDVOGNZYELLPBA-FXPUYFAYSA-N
• XLogP: 13.86
• TPSA: 469.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.87
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 160597586) is 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione is COc1cc(C(=O)N2CC=C(c3cn(C)c(=O)n(C)c3=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CC=C(c3cn(C)c(=O)n(C)c3=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(c3cn(C)c(=O)n(C)c3=O)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CCC(c3cn(C)c(=O)n(C)c3=O)=C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.

What is the InChIKey of 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is RDVOGNZYELLPBA-FXPUYFAYSA-N. The full InChI is InChI=1S/2C27H38N4O7Si.2C27H40N4O5Si/c2*1-17-12-22(31(35)36)20(14-23(17)37-7)25(33)30-11-10-18(21-15-28(5)26(34)29(6)24(21)32)13-19(30)16-38-39(8,9)27(2,3)4;2*1-17-12-22(28)20(14-23(17)35-7)25(33)31-11-10-18(21-15-29(5)26(34)30(6)24(21)32)13-19(31)16-36-37(8,9)27(2,3)4/h12-15,19H,10-11,16H2,1-9H3;10,12,14-15,19H,11,13,16H2,1-9H3;12-15,19H,10-11,16,28H2,1-9H3;10,12,14-15,19H,11,13,16,28H2,1-9H3/t4*19-/m0000/s1.

What are the key properties of 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione?

5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 2174.87 g/mol, XLogP of 13.86, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-1-(2-amino-5-methoxy-4-methylbenzoyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione;5-[(6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 160597586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).