N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H17N3O3 — CID 136890172

IUPACN-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O3/c1-9-14(16(22)18-11(3)17-9)8-15(21)19-13-6-4-12(5-7-13)10(2)20/h4-7H,8H2,1-3H3,(H,19,21)(H,17,18,22)
InChIKeyIGBJQCXTNKOIPK-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.77
Rot. Bonds4

About N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136890172) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136890172
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1
InChIInChI=1S/C16H17N3O3/c1-9-14(16(22)18-11(3)17-9)8-15(21)19-13-6-4-12(5-7-13)10(2)20/h4-7H,8H2,1-3H3,(H,19,21)(H,17,18,22)
InChIKeyIGBJQCXTNKOIPK-UHFFFAOYSA-N
XLogP1.77
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135896922
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135896930
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896939
N-(2,6-difluorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136670006
N-(2-bromophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669960
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
N-(2-tert-butylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890125
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136890117
N-(2,5-dichlorophenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136669983
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 136890158
N-(4-acetylphenyl)-2-[[5-[(2-chlorophenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135413713
N-(4-fluorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616229

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136890172) is N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is IGBJQCXTNKOIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-14(16(22)18-11(3)17-9)8-15(21)19-13-6-4-12(5-7-13)10(2)20/h4-7H,8H2,1-3H3,(H,19,21)(H,17,18,22).
What are the key properties of N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136890172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).