2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide

C23H26N4O3 — CID 51364700

IUPAC2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-5-30-20-8-6-18(7-9-20)25-21(28)14-27-22(29)13-17(4)24-23(27)26-19-11-15(2)10-16(3)12-19/h6-13H,5,14H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyZJUWAYFWAJXKFR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.95
Rot. Bonds7

About 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 51364700) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID51364700
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-5-30-20-8-6-18(7-9-20)25-21(28)14-27-22(29)13-17(4)24-23(27)26-19-11-15(2)10-16(3)12-19/h6-13H,5,14H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyZJUWAYFWAJXKFR-UHFFFAOYSA-N
XLogP3.95
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 51364700) is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is ZJUWAYFWAJXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-5-30-20-8-6-18(7-9-20)25-21(28)14-27-22(29)13-17(4)24-23(27)26-19-11-15(2)10-16(3)12-19/h6-13H,5,14H2,1-4H3,(H,24,26)(H,25,28).
What are the key properties of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 51364700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).