4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H20F3N3O2 — CID 4992882

About 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 4992882) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 4992882
• Molecular Formula: C21H20F3N3O2
• Molecular Weight: 403.40 g/mol
• Exact Mass: 403.15
• IUPAC Name: 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2cc(C)ccc2C)NC(=O)N1
• InChI: InChI=1S/C21H20F3N3O2/c1-11-7-8-12(2)16(9-11)18-17(13(3)25-20(29)27-18)19(28)26-15-6-4-5-14(10-15)21(22,23)24/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,29)
• InChIKey: AZWRXTURPPEQAD-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 4992882) is 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide.

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

The canonical SMILES for 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2cc(C)ccc2C)NC(=O)N1.

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

The InChIKey is AZWRXTURPPEQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-11-7-8-12(2)16(9-11)18-17(13(3)25-20(29)27-18)19(28)26-15-6-4-5-14(10-15)21(22,23)24/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,29).

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

4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethylphenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4992882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).