N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

C21H24N6O3 — CID 7588260

IUPACN-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1
InChIInChI=1S/C21H24N6O3/c1-12-10-13(2)27(25-12)21-22-15(4)14(3)20(30)26(21)11-19(29)24-18-8-6-17(7-9-18)23-16(5)28/h6-10H,11H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyDQSAFNJDHPEMQU-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.26
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 7588260) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID7588260
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1
InChIInChI=1S/C21H24N6O3/c1-12-10-13(2)27(25-12)21-22-15(4)14(3)20(30)26(21)11-19(29)24-18-8-6-17(7-9-18)23-16(5)28/h6-10H,11H2,1-5H3,(H,23,28)(H,24,29)
InChIKeyDQSAFNJDHPEMQU-UHFFFAOYSA-N
XLogP2.26
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7386728
2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7386744
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 27656474
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27656488
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 22586478
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 41107069
N-(4-acetylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 7588341
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
CID 7588278
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7588338
N-(3,4-dimethylphenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
CID 53014423
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide (CID 7588260) is N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is DQSAFNJDHPEMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-12-10-13(2)27(25-12)21-22-15(4)14(3)20(30)26(21)11-19(29)24-18-8-6-17(7-9-18)23-16(5)28/h6-10H,11H2,1-5H3,(H,23,28)(H,24,29).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 7588260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).