1-(2-phenoxypyrimidin-4-yl)ethanone

C12H10N2O2 — CID 142223443

IUPAC1-(2-phenoxypyrimidin-4-yl)ethanone
SMILESCC(=O)c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c1-9(15)11-7-8-13-12(14-11)16-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAKBLLSFHMFEVQW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-phenoxypyrimidin-4-yl)ethanone

1-(2-phenoxypyrimidin-4-yl)ethanone (PubChem CID 142223443) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2-phenoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenoxypyrimidin-4-yl)ethanone
PubChem CID142223443
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(2-phenoxypyrimidin-4-yl)ethanone
SMILESCC(=O)c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c1-9(15)11-7-8-13-12(14-11)16-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAKBLLSFHMFEVQW-UHFFFAOYSA-N
XLogP2.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-phenoxy-N-phenyl-N-(trifluoromethyl)pyrimidine-4-carboxamide
CID 71286093
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide
CID 89094272
2-(3-ethoxyphenoxy)pyrimidine-4-carbothioamide
CID 107548622
1-[4-[4-(4-chlorophenyl)pyrimidin-2-yl]oxyphenyl]ethanone
CID 172639870
2-(4-chloro-2,6-dimethylphenoxy)pyrimidine-4-carboxylic acid
CID 107554749
2-(4-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548421
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
2-(3-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548423
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypyrimidin-4-yl)ethanone?
The IUPAC name of 1-(2-phenoxypyrimidin-4-yl)ethanone (CID 142223443) is 1-(2-phenoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(2-phenoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(2-phenoxypyrimidin-4-yl)ethanone is CC(=O)c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 1-(2-phenoxypyrimidin-4-yl)ethanone?
The InChIKey is AKBLLSFHMFEVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9(15)11-7-8-13-12(14-11)16-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(2-phenoxypyrimidin-4-yl)ethanone?
1-(2-phenoxypyrimidin-4-yl)ethanone has a molecular weight of 214.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 142223443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).