N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide

C21H20N4O2 — CID 117083241

IUPACN-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3cccc(C(C)=O)c3)ncc2C)cc1
InChIInChI=1S/C21H20N4O2/c1-13-12-22-21(17-6-4-5-16(11-17)14(2)26)25-20(13)24-19-9-7-18(8-10-19)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyFPHUACDVHFFNIG-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.36
Rot. Bonds5

About N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117083241) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117083241
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3cccc(C(C)=O)c3)ncc2C)cc1
InChIInChI=1S/C21H20N4O2/c1-13-12-22-21(17-6-4-5-16(11-17)14(2)26)25-20(13)24-19-9-7-18(8-10-19)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyFPHUACDVHFFNIG-UHFFFAOYSA-N
XLogP4.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-methyl-4-(3,4,5-trimethoxyanilino)pyrimidin-2-yl]phenyl]ethanone
CID 117092155
4-[4-(4-acetamidoanilino)-5-methylpyrimidin-2-yl]benzamide
CID 117086677
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
N-[3-[[5-methyl-4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 138729673
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
2-(5-chloro-2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;ethane;2-(2-fluorophenyl)-5-methyl-N-pyridin-4-ylpyrimidin-4-amine;5-methyl-2-(3-methylphenyl)-N-pyridin-4-ylpyrimidin-4-amine
CID 142902219
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
CID 117089057
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 117083241) is N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3cccc(C(C)=O)c3)ncc2C)cc1.
What is the InChIKey of N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is FPHUACDVHFFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-12-22-21(17-6-4-5-16(11-17)14(2)26)25-20(13)24-19-9-7-18(8-10-19)23-15(3)27/h4-12H,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117083241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).