N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109314895

IUPACN-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-6-7-12(2)16(10-11)24-19-22-9-8-15(23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZDJOFHLVBCJCFI-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109314895) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109314895
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-6-7-12(2)16(10-11)24-19-22-9-8-15(23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyZDJOFHLVBCJCFI-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314880
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335656
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311869

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109314895) is N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2nccc(C(=O)Nc3c(F)cccc3F)n2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZDJOFHLVBCJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-6-7-12(2)16(10-11)24-19-22-9-8-15(23-19)18(26)25-17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).