2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C28H35N3O7 — CID 42753518

About 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42753518) has the molecular formula C28H35N3O7 and a molecular weight of 525.60 g/mol. Its IUPAC name is 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 42753518
• Molecular Formula: C28H35N3O7
• Molecular Weight: 525.60 g/mol
• Exact Mass: 525.25
• IUPAC Name: 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCCCN1C(=O)NC(c2cccc(NC(=O)c3ccc(OC)cc3OC)c2)C(C(=O)OCCOC)=C1C
• InChI: InChI=1S/C28H35N3O7/c1-6-7-13-31-18(2)24(27(33)38-15-14-35-3)25(30-28(31)34)19-9-8-10-20(16-19)29-26(32)22-12-11-21(36-4)17-23(22)37-5/h8-12,16-17,25H,6-7,13-15H2,1-5H3,(H,29,32)(H,30,34)
• InChIKey: QUFQXQSRMXMRIB-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.60
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 42753518) is 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

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

The canonical SMILES for 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCCCN1C(=O)NC(c2cccc(NC(=O)c3ccc(OC)cc3OC)c2)C(C(=O)OCCOC)=C1C.

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

The InChIKey is QUFQXQSRMXMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O7/c1-6-7-13-31-18(2)24(27(33)38-15-14-35-3)25(30-28(31)34)19-9-8-10-20(16-19)29-26(32)22-12-11-21(36-4)17-23(22)37-5/h8-12,16-17,25H,6-7,13-15H2,1-5H3,(H,29,32)(H,30,34).

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

2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 525.60 g/mol, XLogP of 4.29, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 3-butyl-6-[3-[(2,4-dimethoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42753518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).