1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone

C9H12N2O3 — CID 82657588

IUPAC1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone
SMILESCOc1nc(C)c(OC)c(C(C)=O)n1
InChIInChI=1S/C9H12N2O3/c1-5-8(13-3)7(6(2)12)11-9(10-5)14-4/h1-4H3
InChIKeyUGVKOCQNGUTMAX-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.00
Rot. Bonds3

About 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone

1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone (PubChem CID 82657588) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone
PubChem CID82657588
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone
SMILESCOc1nc(C)c(OC)c(C(C)=O)n1
InChIInChI=1S/C9H12N2O3/c1-5-8(13-3)7(6(2)12)11-9(10-5)14-4/h1-4H3
InChIKeyUGVKOCQNGUTMAX-UHFFFAOYSA-N
XLogP1.00
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone (CID 82657588) is 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone is COc1nc(C)c(OC)c(C(C)=O)n1.
What is the InChIKey of 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone?
The InChIKey is UGVKOCQNGUTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8(13-3)7(6(2)12)11-9(10-5)14-4/h1-4H3.
What are the key properties of 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone?
1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone has a molecular weight of 196.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-6-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 82657588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).