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

C20H18F2N4O — CID 109268037

IUPAC2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)nc2)c(C)c1
InChIInChI=1S/C20H18F2N4O/c1-11-6-12(2)18(13(3)7-11)26-19(27)14-9-23-20(24-10-14)25-17-5-4-15(21)8-16(17)22/h4-10H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyANSYIRFOAZNMBC-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.68
Rot. Bonds4

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

2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109268037) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109268037
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)nc2)c(C)c1
InChIInChI=1S/C20H18F2N4O/c1-11-6-12(2)18(13(3)7-11)26-19(27)14-9-23-20(24-10-14)25-17-5-4-15(21)8-16(17)22/h4-10H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyANSYIRFOAZNMBC-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.68
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-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
2-(2,4-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336625
5-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109292112
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266816
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide (CID 109268037) is 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(Nc3ccc(F)cc3F)nc2)c(C)c1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ANSYIRFOAZNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-6-12(2)18(13(3)7-11)26-19(27)14-9-23-20(24-10-14)25-17-5-4-15(21)8-16(17)22/h4-10H,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide?
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.68, 4 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-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).