2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

C22H23FN4O — CID 109328772

IUPAC2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nc(C)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-4-17-7-5-6-14(2)20(17)27-22-25-15(3)12-19(26-22)21(28)24-13-16-8-10-18(23)11-9-16/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyGPUOYSCIADAZFM-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.47
Rot. Bonds6

About 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328772) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328772
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nc(C)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN4O/c1-4-17-7-5-6-14(2)20(17)27-22-25-15(3)12-19(26-22)21(28)24-13-16-8-10-18(23)11-9-16/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyGPUOYSCIADAZFM-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329340
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
methyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109328805
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320251
N-(2,6-dimethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327827

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109328772) is 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1nc(C)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is GPUOYSCIADAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-4-17-7-5-6-14(2)20(17)27-22-25-15(3)12-19(26-22)21(28)24-13-16-8-10-18(23)11-9-16/h5-12H,4,13H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).