ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C24H27N3O5 — CID 3607379

About ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 3607379) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 3607379
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(C)N(CC)C(=O)NC1c1cccc(NC(=O)c2cccc(OC)c2)c1
• InChI: InChI=1S/C24H27N3O5/c1-5-27-15(3)20(23(29)32-6-2)21(26-24(27)30)16-9-7-11-18(13-16)25-22(28)17-10-8-12-19(14-17)31-4/h7-14,21H,5-6H2,1-4H3,(H,25,28)(H,26,30)
• InChIKey: NZUFNIGPGSUEJH-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 3607379) is ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

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

The canonical SMILES for ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(CC)C(=O)NC1c1cccc(NC(=O)c2cccc(OC)c2)c1.

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

The InChIKey is NZUFNIGPGSUEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-27-15(3)20(23(29)32-6-2)21(26-24(27)30)16-9-7-11-18(13-16)25-22(28)17-10-8-12-19(14-17)31-4/h7-14,21H,5-6H2,1-4H3,(H,25,28)(H,26,30).

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

ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 3607379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).