2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C21H21FN4O — CID 109308320

IUPAC2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C21H21FN4O/c1-2-15-7-9-17(10-8-15)25-21-24-14-12-19(26-21)20(27)23-13-11-16-5-3-4-6-18(16)22/h3-10,12,14H,2,11,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyCHYIIYIRPFVGIE-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.89
Rot. Bonds7

About 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109308320) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109308320
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nccc(C(=O)NCCc3ccccc3F)n2)cc1
InChIInChI=1S/C21H21FN4O/c1-2-15-7-9-17(10-8-15)25-21-24-14-12-19(26-21)20(27)23-13-11-16-5-3-4-6-18(16)22/h3-10,12,14H,2,11,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyCHYIIYIRPFVGIE-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-[2-(2-fluorophenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109308372
2-(2-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308327
methyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305468
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
N-[2-(2-fluorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307172
N-(2-phenylethyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109307912
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109308320) is 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is CCc1ccc(Nc2nccc(C(=O)NCCc3ccccc3F)n2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is CHYIIYIRPFVGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-15-7-9-17(10-8-15)25-21-24-14-12-19(26-21)20(27)23-13-11-16-5-3-4-6-18(16)22/h3-10,12,14H,2,11,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).