N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C20H17F3N4O — CID 112849470

IUPACN-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)cc1
InChIInChI=1S/C20H17F3N4O/c1-3-12-4-6-13(7-5-12)26-20(28)16-10-17(25-11(2)24-16)27-15-9-8-14(21)18(22)19(15)23/h4-10H,3H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyPAJZMAJHCFYHAY-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.76
Rot. Bonds5

About N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 112849470) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID112849470
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)cc1
InChIInChI=1S/C20H17F3N4O/c1-3-12-4-6-13(7-5-12)26-20(28)16-10-17(25-11(2)24-16)27-15-9-8-14(21)18(22)19(15)23/h4-10H,3H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyPAJZMAJHCFYHAY-UHFFFAOYSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
N-(4-ethylphenyl)-2-methyl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849449
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849463
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
N-(4-chlorophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848919

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 112849470) is N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(Nc3ccc(F)c(F)c3F)nc(C)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is PAJZMAJHCFYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-3-12-4-6-13(7-5-12)26-20(28)16-10-17(25-11(2)24-16)27-15-9-8-14(21)18(22)19(15)23/h4-10H,3H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).