2-benzyl-4,6-dichloropyrimidine

C11H8Cl2N2 — CID 2775259

IUPAC2-benzyl-4,6-dichloropyrimidine
SMILESClc1cc(Cl)nc(Cc2ccccc2)n1
InChIInChI=1S/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyACEVCJQVGFNGAU-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.37
Rot. Bonds2

About 2-benzyl-4,6-dichloropyrimidine

2-benzyl-4,6-dichloropyrimidine (PubChem CID 2775259) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-benzyl-4,6-dichloropyrimidine.

Molecular Properties

Compound Name2-benzyl-4,6-dichloropyrimidine
PubChem CID2775259
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name2-benzyl-4,6-dichloropyrimidine
SMILESClc1cc(Cl)nc(Cc2ccccc2)n1
InChIInChI=1S/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyACEVCJQVGFNGAU-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,6-dichloropyrimidine?
The IUPAC name of 2-benzyl-4,6-dichloropyrimidine (CID 2775259) is 2-benzyl-4,6-dichloropyrimidine.
What is the SMILES notation for 2-benzyl-4,6-dichloropyrimidine?
The canonical SMILES for 2-benzyl-4,6-dichloropyrimidine is Clc1cc(Cl)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4,6-dichloropyrimidine?
The InChIKey is ACEVCJQVGFNGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-benzyl-4,6-dichloropyrimidine?
2-benzyl-4,6-dichloropyrimidine has a molecular weight of 239.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,6-dichloropyrimidine is sourced from PubChem (CID 2775259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).