ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate

C26H32N2O6 — CID 42835363

About ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42835363) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 42835363
• Molecular Formula: C26H32N2O6
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.23
• IUPAC Name: ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)NC1c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C26H32N2O6/c1-8-33-25(29)23-21(14-34-22-10-15(2)9-16(3)17(22)4)28(5)26(30)27-24(23)18-11-19(31-6)13-20(12-18)32-7/h9-13,24H,8,14H2,1-7H3,(H,27,30)
• InChIKey: AIQNDPYAPFXGNY-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The IUPAC name of ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate (CID 42835363) is ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The canonical SMILES for ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)NC1c1cc(OC)cc(OC)c1.

What is the InChIKey of ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The InChIKey is AIQNDPYAPFXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-8-33-25(29)23-21(14-34-22-10-15(2)9-16(3)17(22)4)28(5)26(30)27-24(23)18-11-19(31-6)13-20(12-18)32-7/h9-13,24H,8,14H2,1-7H3,(H,27,30).

What are the key properties of ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-(3,5-dimethoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42835363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).