2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine

C13H13BrN2 — CID 116897213

IUPAC2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
SMILESCc1ccc(C)c(-c2cc(C)nc(Br)n2)c1
InChIInChI=1S/C13H13BrN2/c1-8-4-5-9(2)11(6-8)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3
InChIKeySZQZUCVEWCHLPU-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.83
Rot. Bonds1

About 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine

2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine (PubChem CID 116897213) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
PubChem CID116897213
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
SMILESCc1ccc(C)c(-c2cc(C)nc(Br)n2)c1
InChIInChI=1S/C13H13BrN2/c1-8-4-5-9(2)11(6-8)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3
InChIKeySZQZUCVEWCHLPU-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894862
2-bromo-4-(2-bromophenyl)-6-methylpyrimidine
CID 116897341
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
2-bromo-6-(2,5-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854746
4-[[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]amino]butanoic acid
CID 82192981
2-bromo-4-methyl-6-(5-methylfuran-2-yl)pyrimidine
CID 116897330
3-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole
CID 82111649
2-(2,5-dimethylphenyl)-4,5-dimethylpyridine
CID 166896824
4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893757
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
2-(2,5-dimethylphenyl)quinoline
CID 1202732
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine?
The IUPAC name of 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine (CID 116897213) is 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine is Cc1ccc(C)c(-c2cc(C)nc(Br)n2)c1.
What is the InChIKey of 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine?
The InChIKey is SZQZUCVEWCHLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-8-4-5-9(2)11(6-8)12-7-10(3)15-13(14)16-12/h4-7H,1-3H3.
What are the key properties of 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine?
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine has a molecular weight of 277.17 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 116897213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).