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

C22H24N4O3 — CID 91904072

IUPAC2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-16-13-21(28)26(15-20(27)24-18-9-11-19(29-3)12-10-18)22(23-16)25(2)14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyGTIQDQWWJJOBJY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.84
Rot. Bonds7

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

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 91904072) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID91904072
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-16-13-21(28)26(15-20(27)24-18-9-11-19(29-3)12-10-18)22(23-16)25(2)14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyGTIQDQWWJJOBJY-UHFFFAOYSA-N
XLogP2.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 91904072) is 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(N(C)Cc3ccccc3)nc(C)cc2=O)cc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is GTIQDQWWJJOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-13-21(28)26(15-20(27)24-18-9-11-19(29-3)12-10-18)22(23-16)25(2)14-17-7-5-4-6-8-17/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-(4-methoxyphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 91904072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).