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

C9H12N2O2 — CID 82654252

IUPAC1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone
SMILESCCc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-7-8(6(2)12)9(13-3)11-5-10-7/h5H,4H2,1-3H3
InChIKeyOQJLFBAEINRPNL-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.25
Rot. Bonds3

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

1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone (PubChem CID 82654252) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone
PubChem CID82654252
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone
SMILESCCc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-7-8(6(2)12)9(13-3)11-5-10-7/h5H,4H2,1-3H3
InChIKeyOQJLFBAEINRPNL-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethoxy-7-methylquinazoline-5,8-dione
CID 85664292
1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
5-Ethyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 169840600
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
1-(5-Methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
CID 19694222
4-Methoxy-6-methyl-5-propylpyrimidine
CID 56996496
Methyl 4-Ethyl-6-methylpyrimidine-5-carboxylate
CID 58781568
4-methoxy-6,7-dihydro-5H-quinazolin-8-one
CID 66828831
4-Ethyl-6-methoxy-5-methylpyrimidine
CID 68387524
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone (CID 82654252) is 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone is CCc1ncnc(OC)c1C(C)=O.
What is the InChIKey of 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone?
The InChIKey is OQJLFBAEINRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-7-8(6(2)12)9(13-3)11-5-10-7/h5H,4H2,1-3H3.
What are the key properties of 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone?
1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone is sourced from PubChem (CID 82654252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).