5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione

C16H18N2O3 — CID 60734768

IUPAC5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-9-5-10(2)14(11(3)6-9)13(19)8-18-7-12(4)15(20)17-16(18)21/h5-7H,8H2,1-4H3,(H,17,20,21)
InChIKeyXTZGWKJYLOQLQP-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 60734768) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID60734768
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-9-5-10(2)14(11(3)6-9)13(19)8-18-7-12(4)15(20)17-16(18)21/h5-7H,8H2,1-4H3,(H,17,20,21)
InChIKeyXTZGWKJYLOQLQP-UHFFFAOYSA-N
XLogP1.65
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione (CID 60734768) is 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione is Cc1cc(C)c(C(=O)Cn2cc(C)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is XTZGWKJYLOQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-5-10(2)14(11(3)6-9)13(19)8-18-7-12(4)15(20)17-16(18)21/h5-7H,8H2,1-4H3,(H,17,20,21).
What are the key properties of 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60734768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).