1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone

C9H12N2O2 — CID 82654249

IUPAC1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone
SMILESCOc1nc(C)nc(C(C)=O)c1C
InChIInChI=1S/C9H12N2O2/c1-5-8(6(2)12)10-7(3)11-9(5)13-4/h1-4H3
InChIKeyCIGSSJREEPNJBQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds2

About 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone

1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone (PubChem CID 82654249) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone
PubChem CID82654249
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone
SMILESCOc1nc(C)nc(C(C)=O)c1C
InChIInChI=1S/C9H12N2O2/c1-5-8(6(2)12)10-7(3)11-9(5)13-4/h1-4H3
InChIKeyCIGSSJREEPNJBQ-UHFFFAOYSA-N
XLogP1.30
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone (CID 82654249) is 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone is COc1nc(C)nc(C(C)=O)c1C.
What is the InChIKey of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone?
The InChIKey is CIGSSJREEPNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8(6(2)12)10-7(3)11-9(5)13-4/h1-4H3.
What are the key properties of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone?
1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 82654249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).