2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine

C12H11BrFN3 — CID 107923946

IUPAC2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyIGUKTSKMOQKBCN-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.40
Rot. Bonds2

About 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine

2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 107923946) has the molecular formula C12H11BrFN3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID107923946
Molecular FormulaC12H11BrFN3
Molecular Weight296.14 g/mol
Exact Mass295.01
IUPAC Name2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C12H11BrFN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyIGUKTSKMOQKBCN-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 66160131
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
CID 107924240
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862775
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62388957
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107924063
2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine (CID 107923946) is 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is IGUKTSKMOQKBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3/c1-7-5-11(15-2)17-12(16-7)9-6-8(14)3-4-10(9)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine?
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 296.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107923946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).