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

C21H21FN4O — CID 109328770

IUPAC2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O/c1-3-15-6-10-18(11-7-15)25-21-24-14(2)12-19(26-21)20(27)23-13-16-4-8-17(22)9-5-16/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyNZFHIXGQTCIRLH-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.16
Rot. Bonds6

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

2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328770) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328770
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN4O/c1-3-15-6-10-18(11-7-15)25-21-24-14(2)12-19(26-21)20(27)23-13-16-4-8-17(22)9-5-16/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyNZFHIXGQTCIRLH-UHFFFAOYSA-N
XLogP4.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328794
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
2-(2-ethyl-6-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328772
2-(4-ethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326989
2-(2,5-dimethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328764
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
methyl 2-[[4-[(4-fluorophenyl)methylcarbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109328805
2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330341
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109328770) is 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is NZFHIXGQTCIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-3-15-6-10-18(11-7-15)25-21-24-14(2)12-19(26-21)20(27)23-13-16-4-8-17(22)9-5-16/h4-12H,3,13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).