4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H19Cl2N3O4 — CID 3476783

About 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3476783) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 3476783
• Molecular Formula: C20H19Cl2N3O4
• Molecular Weight: 436.30 g/mol
• Exact Mass: 435.08
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)NC2c2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C20H19Cl2N3O4/c1-10-17(19(26)24-15-9-12(28-2)5-7-16(15)29-3)18(25-20(27)23-10)13-6-4-11(21)8-14(13)22/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27)
• InChIKey: GIGDQKKSNZAAKO-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 88.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.30
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3476783) is 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)NC2c2ccc(Cl)cc2Cl)c1.

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

The InChIKey is GIGDQKKSNZAAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c1-10-17(19(26)24-15-9-12(28-2)5-7-16(15)29-3)18(25-20(27)23-10)13-6-4-11(21)8-14(13)22/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27).

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

4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3476783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).