5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine

C11H7Br2ClN2 — CID 66292644

IUPAC5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
SMILESClc1nc(Cc2ccc(Br)cc2)ncc1Br
InChIInChI=1S/C11H7Br2ClN2/c12-8-3-1-7(2-4-8)5-10-15-6-9(13)11(14)16-10/h1-4,6H,5H2
InChIKeyAGSANFQLZOVAGC-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.25
Rot. Bonds2

About 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine

5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine (PubChem CID 66292644) has the molecular formula C11H7Br2ClN2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
PubChem CID66292644
Molecular FormulaC11H7Br2ClN2
Molecular Weight362.45 g/mol
Exact Mass359.87
IUPAC Name5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine
SMILESClc1nc(Cc2ccc(Br)cc2)ncc1Br
InChIInChI=1S/C11H7Br2ClN2/c12-8-3-1-7(2-4-8)5-10-15-6-9(13)11(14)16-10/h1-4,6H,5H2
InChIKeyAGSANFQLZOVAGC-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine?
The IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine (CID 66292644) is 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine.
What is the SMILES notation for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine?
The canonical SMILES for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine is Clc1nc(Cc2ccc(Br)cc2)ncc1Br.
What is the InChIKey of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine?
The InChIKey is AGSANFQLZOVAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2/c12-8-3-1-7(2-4-8)5-10-15-6-9(13)11(14)16-10/h1-4,6H,5H2.
What are the key properties of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine?
5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine has a molecular weight of 362.45 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloropyrimidine is sourced from PubChem (CID 66292644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).