(2-methoxy-6-methylpyrimidin-4-yl) acetate

C8H10N2O3 — CID 14117591

IUPAC(2-methoxy-6-methylpyrimidin-4-yl) acetate
SMILESCOc1nc(C)cc(OC(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-4-7(13-6(2)11)10-8(9-5)12-3/h4H,1-3H3
InChIKeyLLIBHMVCSPALMG-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.72
Rot. Bonds2

About (2-methoxy-6-methylpyrimidin-4-yl) acetate

(2-methoxy-6-methylpyrimidin-4-yl) acetate (PubChem CID 14117591) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-methoxy-6-methylpyrimidin-4-yl) acetate.

Molecular Properties

Compound Name(2-methoxy-6-methylpyrimidin-4-yl) acetate
PubChem CID14117591
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-methoxy-6-methylpyrimidin-4-yl) acetate
SMILESCOc1nc(C)cc(OC(C)=O)n1
InChIInChI=1S/C8H10N2O3/c1-5-4-7(13-6(2)11)10-8(9-5)12-3/h4H,1-3H3
InChIKeyLLIBHMVCSPALMG-UHFFFAOYSA-N
XLogP0.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) acetate?
The IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) acetate (CID 14117591) is (2-methoxy-6-methylpyrimidin-4-yl) acetate.
What is the SMILES notation for (2-methoxy-6-methylpyrimidin-4-yl) acetate?
The canonical SMILES for (2-methoxy-6-methylpyrimidin-4-yl) acetate is COc1nc(C)cc(OC(C)=O)n1.
What is the InChIKey of (2-methoxy-6-methylpyrimidin-4-yl) acetate?
The InChIKey is LLIBHMVCSPALMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-4-7(13-6(2)11)10-8(9-5)12-3/h4H,1-3H3.
What are the key properties of (2-methoxy-6-methylpyrimidin-4-yl) acetate?
(2-methoxy-6-methylpyrimidin-4-yl) acetate has a molecular weight of 182.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylpyrimidin-4-yl) acetate is sourced from PubChem (CID 14117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).