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

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Related Compounds

4,6-Dimethoxypyrimidine-5-carbaldehyde
CID 4436645
5-Acetyl-4-amino-6-methoxypyrimidine
CID 137797087
5-Acetyl-4-amino-6-methoxy-2-methylpyrimidine
CID 137797096
1-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 83889197
1-(2,4-Dimethoxypyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 177591020
2,2-Difluoro-1-(4-methoxypyrimidin-5-yl)ethanone
CID 177817340
1-(5-Ethyl-4,6-dimethoxypyrimidin-2-yl)propan-2-one
CID 14792712
5-Ethyl-4,6-dimethoxypyrimidine
CID 21828435
4,6-Bis[(2-methylpropan-2-yl)oxy]pyrimidine-5-carbaldehyde
CID 57583223
1-(2-Ethoxy-4-methoxy-6-propan-2-yloxypyrimidin-5-yl)ethanone
CID 69908574
1-(4-Methoxy-2-methylpyrimidin-5-yl)ethanone
CID 82652517
1-(2-Tert-butyl-4-methoxypyrimidin-5-yl)ethanone
CID 82659862

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).