N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C20H19FN4O — CID 109316170

IUPACN-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C20H19FN4O/c1-12-10-13(2)18(14(3)11-12)25-20-22-9-8-17(24-20)19(26)23-16-6-4-15(21)5-7-16/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyAQCMPPBWXUZAIX-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.54
Rot. Bonds4

About N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109316170) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109316170
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)c(C)c1
InChIInChI=1S/C20H19FN4O/c1-12-10-13(2)18(14(3)11-12)25-20-22-9-8-17(24-20)19(26)23-16-6-4-15(21)5-7-16/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyAQCMPPBWXUZAIX-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317373
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316217
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
methyl 4-[[2-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315289
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109316170) is N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2nccc(C(=O)Nc3ccc(F)cc3)n2)c(C)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is AQCMPPBWXUZAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-12-10-13(2)18(14(3)11-12)25-20-22-9-8-17(24-20)19(26)23-16-6-4-15(21)5-7-16/h4-11H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).