2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

C22H24N4O3 — CID 95922588

IUPAC2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H24N4O3/c1-14-9-10-17(11-15(14)2)24-22-23-16(3)12-21(26-22)29-13-20(27)25-18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyVNLWIFAEPUMSCX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.17
Rot. Bonds7

About 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (PubChem CID 95922588) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
PubChem CID95922588
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C22H24N4O3/c1-14-9-10-17(11-15(14)2)24-22-23-16(3)12-21(26-22)29-13-20(27)25-18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyVNLWIFAEPUMSCX-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
2-(2,8-dimethylquinolin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 100828863
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287797
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (CID 95922588) is 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1cc(C)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The InChIKey is VNLWIFAEPUMSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-9-10-17(11-15(14)2)24-22-23-16(3)12-21(26-22)29-13-20(27)25-18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylanilino)-6-methylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 95922588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).