N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 112848850

IUPACN-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(Nc3ccc(C)cc3C)nc(C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-13-6-8-17(14(2)10-13)25-21-12-19(23-15(3)24-21)22(27)26-18-11-16(28-4)7-9-20(18)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyGMTUYNYFWIPUKX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.41
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848850) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112848850
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(Nc3ccc(C)cc3C)nc(C)n2)c1
InChIInChI=1S/C22H24N4O3/c1-13-6-8-17(14(2)10-13)25-21-12-19(23-15(3)24-21)22(27)26-18-11-16(28-4)7-9-20(18)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyGMTUYNYFWIPUKX-UHFFFAOYSA-N
XLogP4.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-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

6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112848883
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112848850) is N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(Nc3ccc(C)cc3C)nc(C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is GMTUYNYFWIPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-6-8-17(14(2)10-13)25-21-12-19(23-15(3)24-21)22(27)26-18-11-16(28-4)7-9-20(18)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).