3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one

C14H14N2O2 — CID 63769538

IUPAC3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc(C(=O)Cn2cnccc2=O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-10-3-4-12(11(2)7-10)13(17)8-16-9-15-6-5-14(16)18/h3-7,9H,8H2,1-2H3
InChIKeyNVLOKPYCPLLTBO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.74
Rot. Bonds3

About 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one

3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 63769538) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
PubChem CID63769538
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc(C(=O)Cn2cnccc2=O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-10-3-4-12(11(2)7-10)13(17)8-16-9-15-6-5-14(16)18/h3-7,9H,8H2,1-2H3
InChIKeyNVLOKPYCPLLTBO-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

5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66310833
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867319
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
3-(3-methoxy-2-oxopropyl)pyrimidin-4-one
CID 107507777
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
1-(2,4-dimethylphenyl)-2-pyrimidin-4-ylsulfanylethanone
CID 55225547
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
6-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7488393
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one (CID 63769538) is 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one is Cc1ccc(C(=O)Cn2cnccc2=O)c(C)c1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is NVLOKPYCPLLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-4-12(11(2)7-10)13(17)8-16-9-15-6-5-14(16)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one?
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-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 3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 63769538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).