6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C19H15F3N4O — CID 109357363

IUPAC6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3F)ncn2)cc1
InChIInChI=1S/C19H15F3N4O/c1-2-11-3-5-12(6-4-11)25-16-9-15(23-10-24-16)19(27)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyGHMNPUBBRXYVJH-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.45
Rot. Bonds5

About 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109357363) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109357363
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3F)ncn2)cc1
InChIInChI=1S/C19H15F3N4O/c1-2-11-3-5-12(6-4-11)25-16-9-15(23-10-24-16)19(27)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyGHMNPUBBRXYVJH-UHFFFAOYSA-N
XLogP4.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 112849470
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109357363) is 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3F)ncn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is GHMNPUBBRXYVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-2-11-3-5-12(6-4-11)25-16-9-15(23-10-24-16)19(27)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).