4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione

C88H119N16O22P — CID 167602474

About 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 167602474) has the molecular formula C88H119N16O22P and a molecular weight of 1799.08 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 167602474
• Molecular Formula: C88H119N16O22P
• Molecular Weight: 1799.08 g/mol
• Exact Mass: 1797.94
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione
• SMILES: [2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(=O)[nH]c1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(N)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](O)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O
• InChI: InChI=1S/C27H38N5O6P.C19H23N3O4.C18H21N3O5.C12H19N3O3.C12H18N2O4/c1-7-21-23(38-39(36-17-11-15-28)32(18(2)3)19(4)5)24(35-6)26(37-21)31-16-14-22(30-27(31)34)29-25(33)20-12-9-8-10-13-20;1-4-14-12(2)16(25-3)18(26-14)22-11-10-15(21-19(22)24)20-17(23)13-8-6-5-7-9-13;1-3-12-14(22)15(25-2)17(26-12)21-10-9-13(20-18(21)24)19-16(23)11-7-5-4-6-8-11;1-4-8-7(2)10(17-3)11(18-8)15-6-5-9(13)14-12(15)16;1-4-8-7(2)10(17-3)11(18-8)14-6-5-9(15)13-12(14)16/h8-10,12-14,16,18-19,21,23-24,26H,7,11,17H2,1-6H3,(H,29,30,33,34);5-12,14,16,18H,4H2,1-3H3,(H,20,21,23,24);4-10,12,14-15,17,22H,3H2,1-2H3,(H,19,20,23,24);5-8,10-11H,4H2,1-3H3,(H2,13,14,16);5-8,10-11H,4H2,1-3H3,(H,13,15,16)/t21-,23-,24-,26-,39?;12-,14-,16-,18-;12-,14-,15-,17-;2*7-,8-,10-,11-/m11111/s1/i6D3;3D3;2D3;2*3D3
• InChIKey: JXTAQRPGAYEYFQ-TYNUFSDKSA-N
• XLogP: 9.39
• TPSA: 465.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1799.08
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione (CID 167602474) is 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione is [2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(=O)[nH]c1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(N)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](O)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.[2H]C([2H])([2H])O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CC)O[C@H]1n1ccc(NC(=O)c2ccccc2)nc1=O.

What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is JXTAQRPGAYEYFQ-TYNUFSDKSA-N. The full InChI is InChI=1S/C27H38N5O6P.C19H23N3O4.C18H21N3O5.C12H19N3O3.C12H18N2O4/c1-7-21-23(38-39(36-17-11-15-28)32(18(2)3)19(4)5)24(35-6)26(37-21)31-16-14-22(30-27(31)34)29-25(33)20-12-9-8-10-13-20;1-4-14-12(2)16(25-3)18(26-14)22-11-10-15(21-19(22)24)20-17(23)13-8-6-5-7-9-13;1-3-12-14(22)15(25-2)17(26-12)21-10-9-13(20-18(21)24)19-16(23)11-7-5-4-6-8-11;1-4-8-7(2)10(17-3)11(18-8)15-6-5-9(13)14-12(15)16;1-4-8-7(2)10(17-3)11(18-8)14-6-5-9(15)13-12(14)16/h8-10,12-14,16,18-19,21,23-24,26H,7,11,17H2,1-6H3,(H,29,30,33,34);5-12,14,16,18H,4H2,1-3H3,(H,20,21,23,24);4-10,12,14-15,17,22H,3H2,1-2H3,(H,19,20,23,24);5-8,10-11H,4H2,1-3H3,(H2,13,14,16);5-8,10-11H,4H2,1-3H3,(H,13,15,16)/t21-,23-,24-,26-,39?;12-,14-,16-,18-;12-,14-,15-,17-;2*7-,8-,10-,11-/m11111/s1/i6D3;3D3;2D3;2*3D3.

What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione?

4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 1799.08 g/mol, XLogP of 9.39, 34 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidin-2-one;N-[1-[(2R,3R,4R,5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-ethyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-hydroxy-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;1-[(2R,3R,4R,5R)-5-ethyl-4-methyl-3-(trideuteriomethoxy)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 167602474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).