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

C20H18F2N4O — CID 109267749

IUPAC2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-19(27)14-10-23-20(24-11-14)25-17-8-7-15(21)9-16(17)22/h4-11H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyILCZBSQHZWZDTD-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.62
Rot. Bonds5

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

2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267749) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109267749
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-19(27)14-10-23-20(24-11-14)25-17-8-7-15(21)9-16(17)22/h4-11H,3H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyILCZBSQHZWZDTD-UHFFFAOYSA-N
XLogP4.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide (CID 109267749) is 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ILCZBSQHZWZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-3-13-6-4-5-12(2)18(13)26-19(27)14-10-23-20(24-11-14)25-17-8-7-15(21)9-16(17)22/h4-11H,3H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide?
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).