methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate

C8H9ClN2O2 — CID 131386435

IUPACmethyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(C)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-5-3-6(4-7(12)13-2)11-8(9)10-5/h3H,4H2,1-2H3
InChIKeySZAWXCHXECYYLP-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.15
Rot. Bonds2

About methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate

methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate (PubChem CID 131386435) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate
PubChem CID131386435
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namemethyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate
SMILESCOC(=O)Cc1cc(C)nc(Cl)n1
InChIInChI=1S/C8H9ClN2O2/c1-5-3-6(4-7(12)13-2)11-8(9)10-5/h3H,4H2,1-2H3
InChIKeySZAWXCHXECYYLP-UHFFFAOYSA-N
XLogP1.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate?
The IUPAC name of methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate (CID 131386435) is methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate?
The canonical SMILES for methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate is COC(=O)Cc1cc(C)nc(Cl)n1.
What is the InChIKey of methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate?
The InChIKey is SZAWXCHXECYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-3-6(4-7(12)13-2)11-8(9)10-5/h3H,4H2,1-2H3.
What are the key properties of methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate?
methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate has a molecular weight of 200.62 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-6-methylpyrimidin-4-yl)acetate is sourced from PubChem (CID 131386435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).