N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide

C21H19FN4O2 — CID 109260172

IUPACN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)16-3-2-4-19(11-16)26-20(28)17-12-24-21(25-13-17)23-10-9-15-5-7-18(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyJJOJOINONCBGNQ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.73
Rot. Bonds7

About N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109260172) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109260172
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)16-3-2-4-19(11-16)26-20(28)17-12-24-21(25-13-17)23-10-9-15-5-7-18(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,26,28)(H,23,24,25)
InChIKeyJJOJOINONCBGNQ-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
2-[2-(4-fluorophenyl)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260147
N-(3-acetylphenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964225
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide (CID 109260172) is N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(NCCc3ccc(F)cc3)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is JJOJOINONCBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)16-3-2-4-19(11-16)26-20(28)17-12-24-21(25-13-17)23-10-9-15-5-7-18(22)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,26,28)(H,23,24,25).
What are the key properties of N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide?
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).