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

C19H16F2N4O — CID 109356906

IUPAC6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-3-4-12(2)16(7-11)25-19(26)17-9-18(23-10-22-17)24-15-6-5-13(20)8-14(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRFMSMQZCNWLBIJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

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

6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356906) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356906
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-3-4-12(2)16(7-11)25-19(26)17-9-18(23-10-22-17)24-15-6-5-13(20)8-14(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyRFMSMQZCNWLBIJ-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

6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
2-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335795
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356906) is 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)c1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RFMSMQZCNWLBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-3-4-12(2)16(7-11)25-19(26)17-9-18(23-10-22-17)24-15-6-5-13(20)8-14(15)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
6-(2,4-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-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).