4-(2-bromophenyl)-6-chloro-5-methylpyrimidine

C11H8BrClN2 — CID 115503636

IUPAC4-(2-bromophenyl)-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1-c1ccccc1Br
InChIInChI=1S/C11H8BrClN2/c1-7-10(14-6-15-11(7)13)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyKXGNNHMTQPBTRD-UHFFFAOYSA-N
MW283.56 g/mol
LogP3.87
Rot. Bonds1

About 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine

4-(2-bromophenyl)-6-chloro-5-methylpyrimidine (PubChem CID 115503636) has the molecular formula C11H8BrClN2 and a molecular weight of 283.56 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-chloro-5-methylpyrimidine
PubChem CID115503636
Molecular FormulaC11H8BrClN2
Molecular Weight283.56 g/mol
Exact Mass281.96
IUPAC Name4-(2-bromophenyl)-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1-c1ccccc1Br
InChIInChI=1S/C11H8BrClN2/c1-7-10(14-6-15-11(7)13)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyKXGNNHMTQPBTRD-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine (CID 115503636) is 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine is Cc1c(Cl)ncnc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine?
The InChIKey is KXGNNHMTQPBTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2/c1-7-10(14-6-15-11(7)13)8-4-2-3-5-9(8)12/h2-6H,1H3.
What are the key properties of 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine?
4-(2-bromophenyl)-6-chloro-5-methylpyrimidine has a molecular weight of 283.56 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-chloro-5-methylpyrimidine is sourced from PubChem (CID 115503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).