2-(2-bromophenyl)-4-methylpyrimidine

C11H9BrN2 — CID 21025834

IUPAC2-(2-bromophenyl)-4-methylpyrimidine
SMILESCc1ccnc(-c2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyZBDINJMPWHLBPV-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

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

2-(2-bromophenyl)-4-methylpyrimidine (PubChem CID 21025834) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methylpyrimidine
PubChem CID21025834
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-(2-bromophenyl)-4-methylpyrimidine
SMILESCc1ccnc(-c2ccccc2Br)n1
InChIInChI=1S/C11H9BrN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3
InChIKeyZBDINJMPWHLBPV-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-(2-bromophenyl)-4-methylpyrimidine?
The IUPAC name of 2-(2-bromophenyl)-4-methylpyrimidine (CID 21025834) is 2-(2-bromophenyl)-4-methylpyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-4-methylpyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-4-methylpyrimidine is Cc1ccnc(-c2ccccc2Br)n1.
What is the InChIKey of 2-(2-bromophenyl)-4-methylpyrimidine?
The InChIKey is ZBDINJMPWHLBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-6-7-13-11(14-8)9-4-2-3-5-10(9)12/h2-7H,1H3.
What are the key properties of 2-(2-bromophenyl)-4-methylpyrimidine?
2-(2-bromophenyl)-4-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-(2-bromophenyl)-4-methylpyrimidine is sourced from PubChem (CID 21025834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).