1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one

C14H14N2O2 — CID 61226450

IUPAC1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
SMILESCc1ccc(C)c(C(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C14H14N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-3-6-15-14(16)18/h3-8H,9H2,1-2H3
InChIKeyLEXCCOOUDXCNAC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one

1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 61226450) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
PubChem CID61226450
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
SMILESCc1ccc(C)c(C(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C14H14N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-3-6-15-14(16)18/h3-8H,9H2,1-2H3
InChIKeyLEXCCOOUDXCNAC-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
CID 115590410
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
CID 66330312
4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66085532
N-(3-methylphenyl)-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanamide
CID 131927376
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one
CID 62018796
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43355938
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
2-(1,3-dihydroisoindol-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 62206452
ethyl 3-oxo-4-(2-oxopyrimidin-1-yl)butanoate
CID 63898720
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936135
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
1-(2,5-dimethylphenyl)-2-(1H-imidazol-2-ylsulfanyl)ethanone
CID 103705497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one (CID 61226450) is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one is Cc1ccc(C)c(C(=O)Cn2cccnc2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is LEXCCOOUDXCNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-4-5-11(2)12(8-10)13(17)9-16-7-3-6-15-14(16)18/h3-8H,9H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 61226450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).