4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine

C11H7BrCl2N2 — CID 165347565

IUPAC4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine
SMILESCc1cc(Br)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H7BrCl2N2/c1-6-5-9(12)16-11(15-6)10-7(13)3-2-4-8(10)14/h2-5H,1H3
InChIKeyLUDXZCHILYGAHS-UHFFFAOYSA-N
MW318.00 g/mol
LogP4.52
Rot. Bonds1

About 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine

4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine (PubChem CID 165347565) has the molecular formula C11H7BrCl2N2 and a molecular weight of 318.00 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine
PubChem CID165347565
Molecular FormulaC11H7BrCl2N2
Molecular Weight318.00 g/mol
Exact Mass315.92
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine
SMILESCc1cc(Br)nc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H7BrCl2N2/c1-6-5-9(12)16-11(15-6)10-7(13)3-2-4-8(10)14/h2-5H,1H3
InChIKeyLUDXZCHILYGAHS-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.00
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine (CID 165347565) is 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine is Cc1cc(Br)nc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine?
The InChIKey is LUDXZCHILYGAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2/c1-6-5-9(12)16-11(15-6)10-7(13)3-2-4-8(10)14/h2-5H,1H3.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine?
4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine has a molecular weight of 318.00 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine is sourced from PubChem (CID 165347565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).