ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate

C9H10Cl2N2O2 — CID 52987903

IUPACethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-3-15-7(14)4-6-8(10)12-5(2)13-9(6)11/h3-4H2,1-2H3
InChIKeyCMHXVEKUGZXPMB-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.20
Rot. Bonds3

About ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate

ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate (PubChem CID 52987903) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
PubChem CID52987903
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Nameethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-3-15-7(14)4-6-8(10)12-5(2)13-9(6)11/h3-4H2,1-2H3
InChIKeyCMHXVEKUGZXPMB-UHFFFAOYSA-N
XLogP2.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate (CID 52987903) is ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate is CCOC(=O)Cc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The InChIKey is CMHXVEKUGZXPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-3-15-7(14)4-6-8(10)12-5(2)13-9(6)11/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate has a molecular weight of 249.10 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate is sourced from PubChem (CID 52987903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).