methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

C9H12N2O4 — CID 10921798

IUPACmethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C9H12N2O4/c1-13-7-5-8(14-2)11-6(10-7)4-9(12)15-3/h5H,4H2,1-3H3
InChIKeyMIFRLDTYIMGSSF-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.21
Rot. Bonds4

About methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate

methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (PubChem CID 10921798) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
PubChem CID10921798
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(OC)cc(OC)n1
InChIInChI=1S/C9H12N2O4/c1-13-7-5-8(14-2)11-6(10-7)4-9(12)15-3/h5H,4H2,1-3H3
InChIKeyMIFRLDTYIMGSSF-UHFFFAOYSA-N
XLogP0.21
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate (CID 10921798) is methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is COC(=O)Cc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
The InChIKey is MIFRLDTYIMGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-13-7-5-8(14-2)11-6(10-7)4-9(12)15-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate?
methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate has a molecular weight of 212.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate is sourced from PubChem (CID 10921798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).