2-(3-bromo-2-methylphenyl)pyrimidine

C11H9BrN2 — CID 132567490

IUPAC2-(3-bromo-2-methylphenyl)pyrimidine
SMILESCc1c(Br)cccc1-c1ncccn1
InChIInChI=1S/C11H9BrN2/c1-8-9(4-2-5-10(8)12)11-13-6-3-7-14-11/h2-7H,1H3
InChIKeyMZWYZWZERGVTMZ-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.21
Rot. Bonds1

About 2-(3-bromo-2-methylphenyl)pyrimidine

2-(3-bromo-2-methylphenyl)pyrimidine (PubChem CID 132567490) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(3-bromo-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-2-methylphenyl)pyrimidine
PubChem CID132567490
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-(3-bromo-2-methylphenyl)pyrimidine
SMILESCc1c(Br)cccc1-c1ncccn1
InChIInChI=1S/C11H9BrN2/c1-8-9(4-2-5-10(8)12)11-13-6-3-7-14-11/h2-7H,1H3
InChIKeyMZWYZWZERGVTMZ-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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Related Compounds

5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
2-Benzyl-4-methylpyrimidine
CID 915660
2-Phenylpyrimidine
CID 593578
2-(3-Bromophenyl)pyrido[2,3-d]pyrimidine
CID 44435039
2-(4-Bromophenyl)-5-phenylpyrimidine
CID 768098
2-(p-Tolyl)pyrimidine
CID 12703698
2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine
CID 3233677
2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine
CID 3234535
N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3235066
5-Phenyl-2-(tribromomethyl)pyrimidine
CID 13572058
5-[(3-Bromophenyl)methyl]pyrimidine-2,4-diamine
CID 14999850

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylphenyl)pyrimidine?
The IUPAC name of 2-(3-bromo-2-methylphenyl)pyrimidine (CID 132567490) is 2-(3-bromo-2-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(3-bromo-2-methylphenyl)pyrimidine?
The canonical SMILES for 2-(3-bromo-2-methylphenyl)pyrimidine is Cc1c(Br)cccc1-c1ncccn1.
What is the InChIKey of 2-(3-bromo-2-methylphenyl)pyrimidine?
The InChIKey is MZWYZWZERGVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-8-9(4-2-5-10(8)12)11-13-6-3-7-14-11/h2-7H,1H3.
What are the key properties of 2-(3-bromo-2-methylphenyl)pyrimidine?
2-(3-bromo-2-methylphenyl)pyrimidine 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-(3-bromo-2-methylphenyl)pyrimidine is sourced from PubChem (CID 132567490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).