3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide

C20H16F3N3O3 — CID 5044705

IUPAC3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1C
InChIInChI=1S/C20H16F3N3O3/c1-11-7-8-13(9-12(11)2)26-18(28)14(10-24-19(26)29)17(27)25-16-6-4-3-5-15(16)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27)
InChIKeyGJIWSDAVXUSILG-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.41
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide

3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (PubChem CID 5044705) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
PubChem CID5044705
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1C
InChIInChI=1S/C20H16F3N3O3/c1-11-7-8-13(9-12(11)2)26-18(28)14(10-24-19(26)29)17(27)25-16-6-4-3-5-15(16)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27)
InChIKeyGJIWSDAVXUSILG-UHFFFAOYSA-N
XLogP3.41
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenyl)-N-(2-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3627249
3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461
6-methyl-4-oxo-N-[2-[2-(trifluoromethyl)anilino]phenyl]-1H-pyridine-3-carboxamide
CID 166394067
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026444
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3408404
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137494
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260
N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 3404438

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (CID 5044705) is 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is GJIWSDAVXUSILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11-7-8-13(9-12(11)2)26-18(28)14(10-24-19(26)29)17(27)25-16-6-4-3-5-15(16)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5044705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).