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

C8H8Cl2N2O2 — CID 19071353

IUPACmethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2/h3H2,1-2H3
InChIKeySYVXDRVDBGASGV-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.81
Rot. Bonds2

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

methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate (PubChem CID 19071353) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
PubChem CID19071353
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Namemethyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H8Cl2N2O2/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2/h3H2,1-2H3
InChIKeySYVXDRVDBGASGV-UHFFFAOYSA-N
XLogP1.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate (CID 19071353) is methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate is COC(=O)Cc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
The InChIKey is SYVXDRVDBGASGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c1-4-11-7(9)5(8(10)12-4)3-6(13)14-2/h3H2,1-2H3.
What are the key properties of methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate?
methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate has a molecular weight of 235.07 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetate is sourced from PubChem (CID 19071353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).