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

C23H26N4O2 — CID 91913746

IUPAC2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-5-18-7-6-8-19(13-18)25-21(28)14-27-22(29)12-17(4)24-23(27)26-20-10-15(2)9-16(3)11-20/h6-13H,5,14H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyPYHOOOUYPXZMCG-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.11
Rot. Bonds6

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

2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 91913746) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID91913746
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1
InChIInChI=1S/C23H26N4O2/c1-5-18-7-6-8-19(13-18)25-21(28)14-27-22(29)12-17(4)24-23(27)26-20-10-15(2)9-16(3)11-20/h6-13H,5,14H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyPYHOOOUYPXZMCG-UHFFFAOYSA-N
XLogP4.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide (CID 91913746) is 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(Nc3cc(C)cc(C)c3)nc(C)cc2=O)c1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is PYHOOOUYPXZMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-18-7-6-8-19(13-18)25-21(28)14-27-22(29)12-17(4)24-23(27)26-20-10-15(2)9-16(3)11-20/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-(3-ethylphenyl)acetamide?
2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 91913746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).