1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone

C9H12N2O2 — CID 83875345

IUPAC1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
SMILESCCOc1nc(C)ncc1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-13-9-8(6(2)12)5-10-7(3)11-9/h5H,4H2,1-3H3
InChIKeyAXKAHQIYPISSBI-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.39
Rot. Bonds3

About 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone

1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone (PubChem CID 83875345) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
PubChem CID83875345
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
SMILESCCOc1nc(C)ncc1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-13-9-8(6(2)12)5-10-7(3)11-9/h5H,4H2,1-3H3
InChIKeyAXKAHQIYPISSBI-UHFFFAOYSA-N
XLogP1.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(fluoromethyl)-2-methylpyrimidin-5-yl]ethanone
CID 176600159
4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83896941
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
2-(5-amino-2-methylpyrimidin-4-yl)oxy-N,N-dimethylacetamide
CID 130268688
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
2-amino-2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83892143
5-ethoxy-6-methylpyrazine-2-carboxylic acid
CID 170068148
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone (CID 83875345) is 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone is CCOc1nc(C)ncc1C(C)=O.
What is the InChIKey of 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone?
The InChIKey is AXKAHQIYPISSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-13-9-8(6(2)12)5-10-7(3)11-9/h5H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone?
1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 83875345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).