(4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C24H27IN4O5 — CID 94859262

About (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 94859262) has the molecular formula C24H27IN4O5 and a molecular weight of 578.41 g/mol. Its IUPAC name is (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 94859262
• Molecular Formula: C24H27IN4O5
• Molecular Weight: 578.41 g/mol
• Exact Mass: 578.10
• IUPAC Name: (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC(N)=O
• InChI: InChI=1S/C24H27IN4O5/c1-5-33-18-10-15(9-17(25)22(18)34-11-19(26)30)21-20(14(4)27-24(32)29-21)23(31)28-16-7-6-12(2)13(3)8-16/h6-10,21H,5,11H2,1-4H3,(H2,26,30)(H,28,31)(H2,27,29,32)/t21-/m1/s1
• InChIKey: YUWZPMOLKQBHQT-OAQYLSRUSA-N
• XLogP: 3.44
• TPSA: 131.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.41
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 94859262) is (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC(N)=O.

What is the InChIKey of (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is YUWZPMOLKQBHQT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27IN4O5/c1-5-33-18-10-15(9-17(25)22(18)34-11-19(26)30)21-20(14(4)27-24(32)29-21)23(31)28-16-7-6-12(2)13(3)8-16/h6-10,21H,5,11H2,1-4H3,(H2,26,30)(H,28,31)(H2,27,29,32)/t21-/m1/s1.

What are the key properties of (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?

(4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 578.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 94859262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).