N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C19H15F3N4O2 — CID 109359088

IUPACN-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)ncn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-2-28-12-5-3-11(4-6-12)25-19(27)15-9-16(24-10-23-15)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyHDFQXUHWLLEAHN-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.29
Rot. Bonds6

About N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109359088) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109359088
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)ncn2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-2-28-12-5-3-11(4-6-12)25-19(27)15-9-16(24-10-23-15)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyHDFQXUHWLLEAHN-UHFFFAOYSA-N
XLogP4.29
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
6-(4-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109358423
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
N-(2,4-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356805
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109359004
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109359088) is N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)ncn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is HDFQXUHWLLEAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-2-28-12-5-3-11(4-6-12)25-19(27)15-9-16(24-10-23-15)26-14-8-7-13(20)17(21)18(14)22/h3-10H,2H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).