1-(4,6-dimethoxypyrimidin-5-yl)ethanone

C8H10N2O3 — CID 535968

IUPAC1-(4,6-dimethoxypyrimidin-5-yl)ethanone
SMILESCOc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3/h4H,1-3H3
InChIKeyLAPSNRHJNYFYPH-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.70
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-5-yl)ethanone

1-(4,6-dimethoxypyrimidin-5-yl)ethanone (PubChem CID 535968) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-5-yl)ethanone
PubChem CID535968
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-(4,6-dimethoxypyrimidin-5-yl)ethanone
SMILESCOc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3/h4H,1-3H3
InChIKeyLAPSNRHJNYFYPH-UHFFFAOYSA-N
XLogP0.70
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,6-dimethoxypyrimidin-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-5-yl)ethanone (CID 535968) is 1-(4,6-dimethoxypyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-5-yl)ethanone is COc1ncnc(OC)c1C(C)=O.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The InChIKey is LAPSNRHJNYFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3/h4H,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
1-(4,6-dimethoxypyrimidin-5-yl)ethanone has a molecular weight of 182.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-5-yl)ethanone is sourced from PubChem (CID 535968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).