5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine

C13H11BrCl2N2 — CID 66292376

IUPAC5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine
SMILESCCc1nc(Cc2ccccc2Cl)nc(Cl)c1Br
InChIInChI=1S/C13H11BrCl2N2/c1-2-10-12(14)13(16)18-11(17-10)7-8-5-3-4-6-9(8)15/h3-6H,2,7H2,1H3
InChIKeyXGEOXNXEZFXUMX-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.70
Rot. Bonds3

About 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine

5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine (PubChem CID 66292376) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine
PubChem CID66292376
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine
SMILESCCc1nc(Cc2ccccc2Cl)nc(Cl)c1Br
InChIInChI=1S/C13H11BrCl2N2/c1-2-10-12(14)13(16)18-11(17-10)7-8-5-3-4-6-9(8)15/h3-6H,2,7H2,1H3
InChIKeyXGEOXNXEZFXUMX-UHFFFAOYSA-N
XLogP4.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine (CID 66292376) is 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine is CCc1nc(Cc2ccccc2Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine?
The InChIKey is XGEOXNXEZFXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-2-10-12(14)13(16)18-11(17-10)7-8-5-3-4-6-9(8)15/h3-6H,2,7H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine?
5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine has a molecular weight of 346.06 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine is sourced from PubChem (CID 66292376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).