1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one

C9H12N2O2 — CID 66327163

IUPAC1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCOc1ncnc(CC(C)=O)c1C
InChIInChI=1S/C9H12N2O2/c1-6(12)4-8-7(2)9(13-3)11-5-10-8/h5H,4H2,1-3H3
InChIKeyYXTLJNONAOQRJC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.93
Rot. Bonds3

About 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one

1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one (PubChem CID 66327163) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
PubChem CID66327163
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one
SMILESCOc1ncnc(CC(C)=O)c1C
InChIInChI=1S/C9H12N2O2/c1-6(12)4-8-7(2)9(13-3)11-5-10-8/h5H,4H2,1-3H3
InChIKeyYXTLJNONAOQRJC-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fdpzyglkzgktqj-uhfffaoysa-
CID 12450105
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-(2-Fluoropropan-2-yl)-6-methoxy-5-propan-2-ylpyrimidine
CID 169811439
5-Ethyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 169840600
4-Cyclopropyl-5-ethyl-6-(fluoromethoxy)pyrimidine
CID 172585979
1-(2,6-Dimethoxypyrimidin-4-yl)-3,3-dimethylbutan-2-one
CID 12656667

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one (CID 66327163) is 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one is COc1ncnc(CC(C)=O)c1C.
What is the InChIKey of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
The InChIKey is YXTLJNONAOQRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)4-8-7(2)9(13-3)11-5-10-8/h5H,4H2,1-3H3.
What are the key properties of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one?
1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 66327163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).