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

C20H16F3N3O5 — CID 16815268

IUPAC3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1OC
InChIInChI=1S/C20H16F3N3O5/c1-30-15-7-6-13(9-16(15)31-2)26-18(28)14(10-24-19(26)29)17(27)25-12-5-3-4-11(8-12)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27)
InChIKeyUGBDUMLYNCIGSN-UHFFFAOYSA-N
MW435.36 g/mol
LogP2.81
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (PubChem CID 16815268) has the molecular formula C20H16F3N3O5 and a molecular weight of 435.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
PubChem CID16815268
Molecular FormulaC20H16F3N3O5
Molecular Weight435.36 g/mol
Exact Mass435.10
IUPAC Name3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1OC
InChIInChI=1S/C20H16F3N3O5/c1-30-15-7-6-13(9-16(15)31-2)26-18(28)14(10-24-19(26)29)17(27)25-12-5-3-4-11(8-12)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27)
InChIKeyUGBDUMLYNCIGSN-UHFFFAOYSA-N
XLogP2.81
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 3627238
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025230
5-acetyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
CID 80649586
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
6-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 110860870
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (CID 16815268) is 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C(F)(F)F)c3)c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is UGBDUMLYNCIGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O5/c1-30-15-7-6-13(9-16(15)31-2)26-18(28)14(10-24-19(26)29)17(27)25-12-5-3-4-11(8-12)20(21,22)23/h3-10H,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 435.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16815268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).