2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

C19H16F2N4O — CID 109266908

IUPAC2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)nc2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-5-12(2)7-15(6-11)24-18(26)13-9-22-19(23-10-13)25-14-3-4-16(20)17(21)8-14/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCQOVEFZKESEYJH-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266908) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266908
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)nc2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-5-12(2)7-15(6-11)24-18(26)13-9-22-19(23-10-13)25-14-3-4-16(20)17(21)8-14/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCQOVEFZKESEYJH-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

Analyze 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266908) is 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(F)c(F)c3)nc2)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is CQOVEFZKESEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-5-12(2)7-15(6-11)24-18(26)13-9-22-19(23-10-13)25-14-3-4-16(20)17(21)8-14/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-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 2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).