6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

C19H16F2N4O — CID 109356913

IUPAC6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3c(F)cccc3F)ncn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-6-7-12(2)15(8-11)24-19(26)16-9-17(23-10-22-16)25-18-13(20)4-3-5-14(18)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVHHGOTBTWKBVCP-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356913) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356913
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3c(F)cccc3F)ncn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-6-7-12(2)15(8-11)24-19(26)16-9-17(23-10-22-16)25-18-13(20)4-3-5-14(18)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVHHGOTBTWKBVCP-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-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(2,6-difluorophenyl)-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109290960
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356913) is 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(Nc3c(F)cccc3F)ncn2)c1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VHHGOTBTWKBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-6-7-12(2)15(8-11)24-19(26)16-9-17(23-10-22-16)25-18-13(20)4-3-5-14(18)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)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 6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).