6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one

C14H14N2O2 — CID 62024868

IUPAC6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2C)cn1
InChIInChI=1S/C14H14N2O2/c1-10-5-3-4-6-12(10)13(17)8-16-9-15-11(2)7-14(16)18/h3-7,9H,8H2,1-2H3
InChIKeyBRBHNLGYWXWFMN-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.74
Rot. Bonds3

About 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one

6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 62024868) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
PubChem CID62024868
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2C)cn1
InChIInChI=1S/C14H14N2O2/c1-10-5-3-4-6-12(10)13(17)8-16-9-15-11(2)7-14(16)18/h3-7,9H,8H2,1-2H3
InChIKeyBRBHNLGYWXWFMN-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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one (CID 62024868) is 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)c2ccccc2C)cn1.
What is the InChIKey of 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is BRBHNLGYWXWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-3-4-6-12(10)13(17)8-16-9-15-11(2)7-14(16)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one?
6-methyl-3-[2-(2-methylphenyl)-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 6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 62024868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).