2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide

C21H22N4O2 — CID 53201906

IUPAC2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyORIHPNPKGSKJEP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.55
Rot. Bonds5

About 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 53201906) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID53201906
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyORIHPNPKGSKJEP-UHFFFAOYSA-N
XLogP3.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)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-(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 2124224
N-(3,5-dimethylphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4879217
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(4-ethylphenyl)urea
CID 1292869
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(3,4-dimethylphenyl)urea
CID 1305919
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952911
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
1-(5-Azepan-1-yl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 10364786
3-[4-(4-Benzyl-piperazin-1-yl)-butyl]-6-(3-ethyl-4-methyl-phenylamino)-1H-pyrimidine-2,4-dione
CID 10863712
6-(3-Ethyl-4-methyl-phenylamino)-3-{4-[4-(4-fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-pyrimidine-2,4-dione
CID 11049100
6-(3-Ethyl-4-methyl-phenylamino)-3-(2-oxo-propyl)-1H-pyrimidine-2,4-dione
CID 11702179
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)benzamide
CID 44577642
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-4-(dimethylamino)benzamide
CID 44577954

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide (CID 53201906) is 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2c(Nc3cccc(C)c3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ORIHPNPKGSKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-7-9-17(10-8-14)23-19(26)13-25-20(27)12-16(3)22-21(25)24-18-6-4-5-15(2)11-18/h4-12H,13H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).