2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

C27H34N4O7 — CID 3518131

About 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate

2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 3518131) has the molecular formula C27H34N4O7 and a molecular weight of 526.59 g/mol. Its IUPAC name is 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 3518131
• Molecular Formula: C27H34N4O7
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.24
• IUPAC Name: 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(OC)cc3OC)c2)C(C(=O)OCCOC)=C1C
• InChI: InChI=1S/C27H34N4O7/c1-6-12-31-17(2)23(25(32)38-14-13-35-3)24(30-27(31)34)18-8-7-9-19(15-18)28-26(33)29-21-11-10-20(36-4)16-22(21)37-5/h7-11,15-16,24H,6,12-14H2,1-5H3,(H,30,34)(H2,28,29,33)
• InChIKey: RODINUIXBWLHQW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 127.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	3
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 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate?

The IUPAC name of 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 3518131) is 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

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

The canonical SMILES for 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(OC)cc3OC)c2)C(C(=O)OCCOC)=C1C.

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

The InChIKey is RODINUIXBWLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O7/c1-6-12-31-17(2)23(25(32)38-14-13-35-3)24(30-27(31)34)18-8-7-9-19(15-18)28-26(33)29-21-11-10-20(36-4)16-22(21)37-5/h7-11,15-16,24H,6,12-14H2,1-5H3,(H,30,34)(H2,28,29,33).

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

2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 526.59 g/mol, XLogP of 4.29, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 3518131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).