1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone

C15H16N2O2 — CID 106793219

IUPAC1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1cc(C)ccc1-c1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C15H16N2O2/c1-9-5-6-12(14(7-9)19-4)15-16-8-13(11(3)18)10(2)17-15/h5-8H,1-4H3
InChIKeySOBHTYQUQCNJGK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone

1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone (PubChem CID 106793219) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
PubChem CID106793219
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1cc(C)ccc1-c1ncc(C(C)=O)c(C)n1
InChIInChI=1S/C15H16N2O2/c1-9-5-6-12(14(7-9)19-4)15-16-8-13(11(3)18)10(2)17-15/h5-8H,1-4H3
InChIKeySOBHTYQUQCNJGK-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106793259
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
1-[2-(4-bromo-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 103083927
2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870
2-(2-bromo-4-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107915347
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone (CID 106793219) is 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone is COc1cc(C)ccc1-c1ncc(C(C)=O)c(C)n1.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is SOBHTYQUQCNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-5-6-12(14(7-9)19-4)15-16-8-13(11(3)18)10(2)17-15/h5-8H,1-4H3.
What are the key properties of 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone?
1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 106793219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).