methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate

C8H9ClN2O3 — CID 54047637

IUPACmethyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)ncnc1OC
InChIInChI=1S/C8H9ClN2O3/c1-13-6(12)3-5-7(9)10-4-11-8(5)14-2/h4H,3H2,1-2H3
InChIKeyLQRCZEMNPQCPCO-UHFFFAOYSA-N
MW216.62 g/mol
LogP0.85
Rot. Bonds3

About methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate

methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate (PubChem CID 54047637) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
PubChem CID54047637
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Namemethyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)ncnc1OC
InChIInChI=1S/C8H9ClN2O3/c1-13-6(12)3-5-7(9)10-4-11-8(5)14-2/h4H,3H2,1-2H3
InChIKeyLQRCZEMNPQCPCO-UHFFFAOYSA-N
XLogP0.85
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate (CID 54047637) is methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate is COC(=O)Cc1c(Cl)ncnc1OC.
What is the InChIKey of methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate?
The InChIKey is LQRCZEMNPQCPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-13-6(12)3-5-7(9)10-4-11-8(5)14-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate?
methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate has a molecular weight of 216.62 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-6-methoxypyrimidin-5-yl)acetate is sourced from PubChem (CID 54047637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).