(4,6-dimethylpyrimidin-5-yl) acetate

C8H10N2O2 — CID 174493887

IUPAC(4,6-dimethylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)ncnc1C
InChIInChI=1S/C8H10N2O2/c1-5-8(12-7(3)11)6(2)10-4-9-5/h4H,1-3H3
InChIKeyQHMMKPJTQAFOEN-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.02
Rot. Bonds1

About (4,6-dimethylpyrimidin-5-yl) acetate

(4,6-dimethylpyrimidin-5-yl) acetate (PubChem CID 174493887) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-5-yl) acetate
PubChem CID174493887
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4,6-dimethylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)ncnc1C
InChIInChI=1S/C8H10N2O2/c1-5-8(12-7(3)11)6(2)10-4-9-5/h4H,1-3H3
InChIKeyQHMMKPJTQAFOEN-UHFFFAOYSA-N
XLogP1.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl) acetate?
The IUPAC name of (4,6-dimethylpyrimidin-5-yl) acetate (CID 174493887) is (4,6-dimethylpyrimidin-5-yl) acetate.
What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl) acetate?
The canonical SMILES for (4,6-dimethylpyrimidin-5-yl) acetate is CC(=O)Oc1c(C)ncnc1C.
What is the InChIKey of (4,6-dimethylpyrimidin-5-yl) acetate?
The InChIKey is QHMMKPJTQAFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-8(12-7(3)11)6(2)10-4-9-5/h4H,1-3H3.
What are the key properties of (4,6-dimethylpyrimidin-5-yl) acetate?
(4,6-dimethylpyrimidin-5-yl) acetate has a molecular weight of 166.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-5-yl) acetate is sourced from PubChem (CID 174493887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).