6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109357398

IUPAC6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-3-6-14(7-4-12)24-19(26)17-10-18(23-11-22-17)25-16-8-5-13(20)9-15(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyAHFUDEDYJCGZBM-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.31
Rot. Bonds5

About 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357398) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109357398
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-3-6-14(7-4-12)24-19(26)17-10-18(23-11-22-17)25-16-8-5-13(20)9-15(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyAHFUDEDYJCGZBM-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
4-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092315
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109357398) is 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AHFUDEDYJCGZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-2-12-3-6-14(7-4-12)24-19(26)17-10-18(23-11-22-17)25-16-8-5-13(20)9-15(16)21/h3-11H,2H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).