4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H21N3O4 — CID 4770389

About 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4770389) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 4770389
• Molecular Formula: C20H21N3O4
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.15
• IUPAC Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CCOc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1O
• InChI: InChI=1S/C20H21N3O4/c1-3-27-16-11-13(9-10-15(16)24)18-17(12(2)21-20(26)23-18)19(25)22-14-7-5-4-6-8-14/h4-11,18,24H,3H2,1-2H3,(H,22,25)(H2,21,23,26)
• InChIKey: RXDGAWVBLUPZDJ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 99.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4770389) is 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCOc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)ccc1O.

What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is RXDGAWVBLUPZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-27-16-11-13(9-10-15(16)24)18-17(12(2)21-20(26)23-18)19(25)22-14-7-5-4-6-8-14/h4-11,18,24H,3H2,1-2H3,(H,22,25)(H2,21,23,26).

What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide?

4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4770389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).