3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one

C10H14N2O2 — CID 66327571

IUPAC3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one
SMILESCOc1ncnc(C(C)C(C)=O)c1C
InChIInChI=1S/C10H14N2O2/c1-6(8(3)13)9-7(2)10(14-4)12-5-11-9/h5-6H,1-4H3
InChIKeyXLYJXJATQUJPRW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.49
Rot. Bonds3

About 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one

3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one (PubChem CID 66327571) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one.

Molecular Properties

Compound Name3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one
PubChem CID66327571
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one
SMILESCOc1ncnc(C(C)C(C)=O)c1C
InChIInChI=1S/C10H14N2O2/c1-6(8(3)13)9-7(2)10(14-4)12-5-11-9/h5-6H,1-4H3
InChIKeyXLYJXJATQUJPRW-UHFFFAOYSA-N
XLogP1.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one 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

4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
4-Cyclopropyl-6-(2-fluoroethoxy)-5-methylpyrimidine
CID 148058715
4-Cyclopropyl-6-(difluoromethoxy)-5-methylpyrimidine
CID 148362947
(2S)-2-fluoro-2-(5-fluoro-6-methoxypyrimidin-4-yl)acetaldehyde
CID 154942148
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
4-Cyclopropyl-6-(difluoromethoxy)-5-ethylpyrimidine
CID 156289996
5-Tert-butyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 156290195
4-Cyclopropyl-6-(difluoromethoxy)-5-propan-2-ylpyrimidine
CID 168800055
4-(2-Fluoropropan-2-yl)-6-methoxy-5-propan-2-ylpyrimidine
CID 169811439
4-Cyclopropyl-5-ethyl-6-(2-fluoroethoxy)pyrimidine
CID 169811469
5-Ethyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 169840600
4-Cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine
CID 172585979

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one?
The IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one (CID 66327571) is 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one.
What is the SMILES notation for 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one?
The canonical SMILES for 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one is COc1ncnc(C(C)C(C)=O)c1C.
What is the InChIKey of 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one?
The InChIKey is XLYJXJATQUJPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(8(3)13)9-7(2)10(14-4)12-5-11-9/h5-6H,1-4H3.
What are the key properties of 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one?
3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-5-methylpyrimidin-4-yl)butan-2-one is sourced from PubChem (CID 66327571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).