5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C14H14N2O3 — CID 60734699

IUPAC5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)12(17)8-16-7-10(2)13(18)15-14(16)19/h3-7H,8H2,1-2H3,(H,15,18,19)
InChIKeyPDADNTHVPCYHBD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.04
Rot. Bonds3

About 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 60734699) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID60734699
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)12(17)8-16-7-10(2)13(18)15-14(16)19/h3-7H,8H2,1-2H3,(H,15,18,19)
InChIKeyPDADNTHVPCYHBD-UHFFFAOYSA-N
XLogP1.04
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66328149
1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66425954
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
CID 66330312
5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66424169
5-fluoro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63558385

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 60734699) is 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is PDADNTHVPCYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-3-5-11(6-4-9)12(17)8-16-7-10(2)13(18)15-14(16)19/h3-7H,8H2,1-2H3,(H,15,18,19).
What are the key properties of 5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 1.04, 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-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60734699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).