2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C20H17F3N4O — CID 109315551

IUPAC2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H17F3N4O/c1-2-13-6-3-4-9-16(13)26-19-24-11-10-17(27-19)18(28)25-15-8-5-7-14(12-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyOTQYHSWACPPWFZ-UHFFFAOYSA-N
MW386.38 g/mol
LogP5.05
Rot. Bonds5

About 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109315551) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109315551
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H17F3N4O/c1-2-13-6-3-4-9-16(13)26-19-24-11-10-17(27-19)18(28)25-15-8-5-7-14(12-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyOTQYHSWACPPWFZ-UHFFFAOYSA-N
XLogP5.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109315551) is 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is OTQYHSWACPPWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-2-13-6-3-4-9-16(13)26-19-24-11-10-17(27-19)18(28)25-15-8-5-7-14(12-15)20(21,22)23/h3-12H,2H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109315551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).