6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 112849211

IUPAC6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-7-6-8-14(2)21(13)26-22(27)18-12-20(24-15(3)23-18)25-17-10-9-16(28-4)11-19(17)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyRGJVQCUMLCPIGI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.41
Rot. Bonds6

About 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849211) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849211
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-7-6-8-14(2)21(13)26-22(27)18-12-20(24-15(3)23-18)25-17-10-9-16(28-4)11-19(17)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyRGJVQCUMLCPIGI-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

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Related Compounds

N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368893
N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849208
4-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220005
6-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357540
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372186
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
5-(2,5-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109291247

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 112849211) is 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3c(C)cccc3C)nc(C)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RGJVQCUMLCPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-7-6-8-14(2)21(13)26-22(27)18-12-20(24-15(3)23-18)25-17-10-9-16(28-4)11-19(17)29-5/h6-12H,1-5H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-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 6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).