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

C17H11F3N4O — CID 109358027

IUPAC6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)23-17(25)15-8-16(22-9-21-15)24-14-6-3-11(19)7-13(14)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyNYGYJLMYVZPSMA-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

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

6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109358027) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109358027
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(Nc2ccc(F)cc2F)ncn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)23-17(25)15-8-16(22-9-21-15)24-14-6-3-11(19)7-13(14)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyNYGYJLMYVZPSMA-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide (CID 109358027) is 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(Nc2ccc(F)cc2F)ncn1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is NYGYJLMYVZPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)23-17(25)15-8-16(22-9-21-15)24-14-6-3-11(19)7-13(14)20/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.89, 4 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-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).