(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate

C13H10Cl2N2O2 — CID 1476072

IUPAC(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate
SMILESCc1cc(OC(=O)c2c(Cl)cccc2Cl)nc(C)n1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-6-11(17-8(2)16-7)19-13(18)12-9(14)4-3-5-10(12)15/h3-6H,1-2H3
InChIKeyOVGLOOWIWKGSPO-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.62
Rot. Bonds2

About (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate

(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate (PubChem CID 1476072) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate
PubChem CID1476072
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate
SMILESCc1cc(OC(=O)c2c(Cl)cccc2Cl)nc(C)n1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-6-11(17-8(2)16-7)19-13(18)12-9(14)4-3-5-10(12)15/h3-6H,1-2H3
InChIKeyOVGLOOWIWKGSPO-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate (CID 1476072) is (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate is Cc1cc(OC(=O)c2c(Cl)cccc2Cl)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate?
The InChIKey is OVGLOOWIWKGSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-6-11(17-8(2)16-7)19-13(18)12-9(14)4-3-5-10(12)15/h3-6H,1-2H3.
What are the key properties of (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate?
(2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate has a molecular weight of 297.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl) 2,6-dichlorobenzoate is sourced from PubChem (CID 1476072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).