1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone

C7H7FN2O2 — CID 155320640

IUPAC1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1ncnc(C(C)=O)c1F
InChIInChI=1S/C7H7FN2O2/c1-4(11)6-5(8)7(12-2)10-3-9-6/h3H,1-2H3
InChIKeyWVDOYCYOWMXBLD-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.83
Rot. Bonds2

About 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone

1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone (PubChem CID 155320640) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone
PubChem CID155320640
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1ncnc(C(C)=O)c1F
InChIInChI=1S/C7H7FN2O2/c1-4(11)6-5(8)7(12-2)10-3-9-6/h3H,1-2H3
InChIKeyWVDOYCYOWMXBLD-UHFFFAOYSA-N
XLogP0.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone
CID 149658166
(2S)-2-fluoro-2-(5-fluoro-6-methoxypyrimidin-4-yl)acetaldehyde
CID 154942148
5-Fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine
CID 154942197
2,2-Difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanone
CID 172563172
1-[6-(2,2,2-Trifluoroethoxy)pyrimidin-4-yl]ethanone
CID 172563329
1-[6-Methoxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanone
CID 83889195
5,5,5-Trifluoro-1-(6-methoxypyrimidin-4-yl)pentan-1-one
CID 102950112
4,4,4-Trifluoro-1-(6-methoxypyrimidin-4-yl)butan-1-one
CID 102950193
4-Ethyl-5-fluoro-6-methoxypyrimidine
CID 176478788
1-(5-Methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
CID 19694222
1-(2,6-Dimethoxy-4-pyrimidinyl)ethanone
CID 57986026
1-(2-Chloro-6-methoxypyrimidin-4-yl)ethanone
CID 58312852

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone (CID 155320640) is 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone is COc1ncnc(C(C)=O)c1F.
What is the InChIKey of 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is WVDOYCYOWMXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-4(11)6-5(8)7(12-2)10-3-9-6/h3H,1-2H3.
What are the key properties of 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone?
1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 170.14 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 155320640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).