2-(4-bromophenyl)-5-methylpyrimidine

C11H9BrN2 — CID 767946

IUPAC2-(4-bromophenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C11H9BrN2/c1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyBSUNLHHGZSFMOP-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

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

2-(4-bromophenyl)-5-methylpyrimidine (PubChem CID 767946) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-methylpyrimidine
PubChem CID767946
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-(4-bromophenyl)-5-methylpyrimidine
SMILESCc1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C11H9BrN2/c1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKeyBSUNLHHGZSFMOP-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-methylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-5-methylpyrimidine (CID 767946) is 2-(4-bromophenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-5-methylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-5-methylpyrimidine is Cc1cnc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-methylpyrimidine?
The InChIKey is BSUNLHHGZSFMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h2-7H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-methylpyrimidine?
2-(4-bromophenyl)-5-methylpyrimidine has a molecular weight of 249.11 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-methylpyrimidine is sourced from PubChem (CID 767946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).