1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone

C8H10N2O2 — CID 82652514

IUPAC1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone
SMILESCOc1cc(C(C)=O)nc(C)n1
InChIInChI=1S/C8H10N2O2/c1-5(11)7-4-8(12-3)10-6(2)9-7/h4H,1-3H3
InChIKeyXYPHJLLFBKJNHY-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.00
Rot. Bonds2

About 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone

1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone (PubChem CID 82652514) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone
PubChem CID82652514
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone
SMILESCOc1cc(C(C)=O)nc(C)n1
InChIInChI=1S/C8H10N2O2/c1-5(11)7-4-8(12-3)10-6(2)9-7/h4H,1-3H3
InChIKeyXYPHJLLFBKJNHY-UHFFFAOYSA-N
XLogP1.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone (CID 82652514) is 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone is COc1cc(C(C)=O)nc(C)n1.
What is the InChIKey of 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone?
The InChIKey is XYPHJLLFBKJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(11)7-4-8(12-3)10-6(2)9-7/h4H,1-3H3.
What are the key properties of 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone?
1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 82652514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).