2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide

C22H24N4O2 — CID 91904076

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyZVEPHIOMWWXXOT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds6

About 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 91904076) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID91904076
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1
InChIInChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyZVEPHIOMWWXXOT-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide (CID 91904076) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)c1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ZVEPHIOMWWXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-8-7-11-19(12-16)24-20(27)15-26-21(28)13-17(2)23-22(26)25(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 91904076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).