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

C9H12N2O3 — CID 105449694

IUPAC1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc(OC)c1C
InChIInChI=1S/C9H12N2O3/c1-5-8(13-3)10-7(6(2)12)11-9(5)14-4/h1-4H3
InChIKeyNRVOOENOSDYPQW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.00
Rot. Bonds3

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

1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone (PubChem CID 105449694) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone
PubChem CID105449694
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone
SMILESCOc1nc(C(C)=O)nc(OC)c1C
InChIInChI=1S/C9H12N2O3/c1-5-8(13-3)10-7(6(2)12)11-9(5)14-4/h1-4H3
InChIKeyNRVOOENOSDYPQW-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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Related Compounds

1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
CID 105464104
6-methoxy-2,5-dimethylpyridine-3,4-dicarboxylic acid
CID 172832533
CID 174135085
CID 174135085
1-(4,6-dimethyl-5H-pyrimidin-5-id-2-yl)ethanone;yttrium
CID 58291662
4-acetyl-2-methoxy-6-methylpyridine-3-carboxamide
CID 130017235
ethyl 2-(2,6-dimethoxy-3,5-dimethyl-4-pyridinyl)-2-oxoacetate
CID 142050209
4-acetyl-2-methoxy-6-methylpyridine-3-carbonitrile
CID 121309475
2-amino-2-(4,6-dimethoxy-5-methyl-2-pyridinyl)acetic acid
CID 84690386
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
2,4-dimethoxy-5,6-dimethylpyrimidine
CID 11378723
1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone
CID 54264390
2,4-dimethoxy-5-methyl-6-methylsulfanylpyrimidine
CID 13470317

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone (CID 105449694) is 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone is COc1nc(C(C)=O)nc(OC)c1C.
What is the InChIKey of 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone?
The InChIKey is NRVOOENOSDYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-8(13-3)10-7(6(2)12)11-9(5)14-4/h1-4H3.
What are the key properties of 1-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone?
1-(4,6-dimethoxy-5-methylpyrimidin-2-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-(4,6-dimethoxy-5-methylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 105449694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).