N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide

C21H20N4O4 — CID 109318052

IUPACN-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)c(OC)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)14-4-6-15(7-5-14)23-20(27)18-10-11-22-21(25-18)24-17-9-8-16(28-2)12-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyZYUYEJSWUQMLHO-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.69
Rot. Bonds7

About N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109318052) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109318052
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)c(OC)c1
InChIInChI=1S/C21H20N4O4/c1-13(26)14-4-6-15(7-5-14)23-20(27)18-10-11-22-21(25-18)24-17-9-8-16(28-2)12-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyZYUYEJSWUQMLHO-UHFFFAOYSA-N
XLogP3.69
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide 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-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(4-acetylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306415
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(3,4-difluorophenyl)-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318035
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
N-(2,4-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315278
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
N-(4-acetylphenyl)-5-(2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109200201
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109318052) is N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(Nc2nccc(C(=O)Nc3ccc(C(C)=O)cc3)n2)c(OC)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is ZYUYEJSWUQMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(26)14-4-6-15(7-5-14)23-20(27)18-10-11-22-21(25-18)24-17-9-8-16(28-2)12-19(17)29-3/h4-12H,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).